5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid

C15H14ClNO4S — CID 2380525

IUPAC5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-17(10-11-5-3-2-4-6-11)22(20,21)12-7-8-14(16)13(9-12)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyOZKYTVRFQCGZKP-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.86
Rot. Bonds5

About 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid

5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid (PubChem CID 2380525) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
PubChem CID2380525
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-17(10-11-5-3-2-4-6-11)22(20,21)12-7-8-14(16)13(9-12)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyOZKYTVRFQCGZKP-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-(piperidine-1-sulfonyl)benzoic acid
CID 767893
4-Chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-[(N-benzyl-4-chlorobenzenesulfonamido)methyl]benzoic acid
CID 2396278
rel-2-Chloro-5-(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)benzoic acid
CID 32335
2,4-Dichloro-5-(diethylsulfamoyl)benzoic acid
CID 767908
5-[Benzyl-(2-chloro-phenyl)-sulfamoyl]-2-chloro-benzoic acid
CID 5003977
2-Chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-Chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 2329637
5-[Benzyl(4-chlorophenyl)sulfamoyl]-2-chlorobenzoic acid
CID 3739036
4-{[(4-Chloro-benzenesulfonyl)-(2-fluoro-benzyl)-amino]-methyl}-2-fluorobenzoic acid
CID 46891328
4-[[(4-Chlorophenyl)sulfonyl-pentan-3-ylamino]methyl]benzoic acid
CID 66978859
2-Chloro-5-{[isopropyl(methyl)amino]sulfonyl}benzoic acid
CID 2555978

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid (CID 2380525) is 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid?
The InChIKey is OZKYTVRFQCGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-17(10-11-5-3-2-4-6-11)22(20,21)12-7-8-14(16)13(9-12)15(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid?
5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid is sourced from PubChem (CID 2380525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).