methyl 3-chloro-4-(methanesulfonamido)benzoate

C9H10ClNO4S — CID 91671526

IUPACmethyl 3-chloro-4-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)6-3-4-8(7(10)5-6)11-16(2,13)14/h3-5,11H,1-2H3
InChIKeySTBHAKQRVNERBT-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.50
Rot. Bonds3

About methyl 3-chloro-4-(methanesulfonamido)benzoate

methyl 3-chloro-4-(methanesulfonamido)benzoate (PubChem CID 91671526) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is methyl 3-chloro-4-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-(methanesulfonamido)benzoate
PubChem CID91671526
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Namemethyl 3-chloro-4-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)6-3-4-8(7(10)5-6)11-16(2,13)14/h3-5,11H,1-2H3
InChIKeySTBHAKQRVNERBT-UHFFFAOYSA-N
XLogP1.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-chloro-4-(methanesulfonamido)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-4-(methanesulfonamido)benzoate
CID 163342868
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
methyl 3-chloro-4-[(2,2-dichloroacetyl)amino]benzoate
CID 152656748
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
CID 92674919

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-(methanesulfonamido)benzoate?
The IUPAC name of methyl 3-chloro-4-(methanesulfonamido)benzoate (CID 91671526) is methyl 3-chloro-4-(methanesulfonamido)benzoate.
What is the SMILES notation for methyl 3-chloro-4-(methanesulfonamido)benzoate?
The canonical SMILES for methyl 3-chloro-4-(methanesulfonamido)benzoate is COC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-4-(methanesulfonamido)benzoate?
The InChIKey is STBHAKQRVNERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-15-9(12)6-3-4-8(7(10)5-6)11-16(2,13)14/h3-5,11H,1-2H3.
What are the key properties of methyl 3-chloro-4-(methanesulfonamido)benzoate?
methyl 3-chloro-4-(methanesulfonamido)benzoate has a molecular weight of 263.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-(methanesulfonamido)benzoate is sourced from PubChem (CID 91671526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).