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CAS 117765-67-0 Methyl 2-(N-Methyl-N-phenylsulfaMoyl)acetate molecular structure lightbox
CAS RN: 117765-67-0

Methyl 2-(N-Methyl-N-phenylsulfaMoyl)acetate

  • Product code: SSC-017621
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117765-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117765-67-0 / methyl 2-[methyl(phenyl)sulfamoyl]acetate

methyl 2-(N-methyl-N-phenylsulfamoyl)acetate | methyl 2-[methyl(phenyl)sulfamoyl]acetate | MFCD26097258

Standard CAS: 117765-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117765-67-0
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)CC(=O)OC
InChI
InChI=1S/C10H13NO4S/c1-11(9-6-4-3-5-7-9)16(13,14)8-10(12)15-2/h3-7H,8H2,1-2H3
InChIKey
ISBNXFKJCNZPLM-UHFFFAOYSA-N
Synonyms
methyl 2-(N-methyl-N-phenylsulfamoyl)acetate methyl 2-[methyl(phenyl)sulfamoyl]acetate MFCD26097258 Methyl {[methyl(phenyl)amino]sulfonyl}acetate SCHEMBL10176111

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.65
TPSA
63.68

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
1
Consensus LogP
0.73
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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