2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

C14H18BrNO4S — CID 43216879

IUPAC2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)CC1
InChIInChI=1S/C14H18BrNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyMZUYNNBKISVFPZ-UHFFFAOYSA-N
MW376.27 g/mol
LogP3.00
Rot. Bonds4

About 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (PubChem CID 43216879) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
PubChem CID43216879
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)CC1
InChIInChI=1S/C14H18BrNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyMZUYNNBKISVFPZ-UHFFFAOYSA-N
XLogP3.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
3-bromo-5-(cyclopentylsulfamoyl)-2-methylbenzoic acid
CID 79568305
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
2-(butylamino)-5-(cyclopropylsulfamoyl)benzoic acid
CID 99982792
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
3-bromo-2-methyl-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79576098
2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (CID 43216879) is 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is CC1CCC(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The InChIKey is MZUYNNBKISVFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid has a molecular weight of 376.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43216879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).