2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid

C14H11BrClNO4S — CID 70620304

IUPAC2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Br)c(Cl)c1NS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11BrClNO4S/c1-8-6-7-10(15)12(16)13(8)17-22(20,21)11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyOSQVUUWAZRPYRS-UHFFFAOYSA-N
MW404.67 g/mol
LogP3.91
Rot. Bonds4

About 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid

2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 70620304) has the molecular formula C14H11BrClNO4S and a molecular weight of 404.67 g/mol. Its IUPAC name is 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid
PubChem CID70620304
Molecular FormulaC14H11BrClNO4S
Molecular Weight404.67 g/mol
Exact Mass402.93
IUPAC Name2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Br)c(Cl)c1NS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11BrClNO4S/c1-8-6-7-10(15)12(16)13(8)17-22(20,21)11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyOSQVUUWAZRPYRS-UHFFFAOYSA-N
XLogP3.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350
2-(fluorosulfamoyl)benzoic acid
CID 87516154
2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-[[4-chloro-6-(2-methylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 169224377
3-bromo-2-chloro-6-[(2-fluorophenyl)sulfonylamino]benzoic acid
CID 68863143
3-[(4-bromophenyl)sulfamoyl]-2-methylbenzoic acid
CID 63743640
3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074
2-(methanesulfonamido)-3-methylbenzoic acid
CID 16773117
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid (CID 70620304) is 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(Br)c(Cl)c1NS(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is OSQVUUWAZRPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO4S/c1-8-6-7-10(15)12(16)13(8)17-22(20,21)11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid?
2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 404.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 70620304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).