6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid

C16H16ClNO5S — CID 71857210

IUPAC6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-3-23-11-5-7-12(8-6-11)24(21,22)18-15-10(2)4-9-13(17)14(15)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyMESWZQYARQQMEB-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.55
Rot. Bonds6

About 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid

6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid (PubChem CID 71857210) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid.

Molecular Properties

Compound Name6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid
PubChem CID71857210
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-3-23-11-5-7-12(8-6-11)24(21,22)18-15-10(2)4-9-13(17)14(15)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyMESWZQYARQQMEB-UHFFFAOYSA-N
XLogP3.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxybenzenesulfonic acid
CID 7013020
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891469

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid?
The IUPAC name of 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid (CID 71857210) is 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid.
What is the SMILES notation for 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid?
The canonical SMILES for 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid is CCOc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)O)cc1.
What is the InChIKey of 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid?
The InChIKey is MESWZQYARQQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-3-23-11-5-7-12(8-6-11)24(21,22)18-15-10(2)4-9-13(17)14(15)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid?
6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid has a molecular weight of 369.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-ethoxyphenyl)sulfonylamino]-3-methylbenzoic acid is sourced from PubChem (CID 71857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).