4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid

C13H16BrNO4S — CID 43213256

IUPAC4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C13H16BrNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(13(16)17)6-7-11(12)14/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyFMHZJMRNMUCURI-UHFFFAOYSA-N
MW362.25 g/mol
LogP2.71
Rot. Bonds4

About 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid

4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43213256) has the molecular formula C13H16BrNO4S and a molecular weight of 362.25 g/mol. Its IUPAC name is 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
PubChem CID43213256
Molecular FormulaC13H16BrNO4S
Molecular Weight362.25 g/mol
Exact Mass361.00
IUPAC Name4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C13H16BrNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(13(16)17)6-7-11(12)14/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyFMHZJMRNMUCURI-UHFFFAOYSA-N
XLogP2.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid (CID 43213256) is 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid is CN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)ccc1Br.
What is the InChIKey of 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is FMHZJMRNMUCURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(13(16)17)6-7-11(12)14/h6-8,10H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 362.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[cyclopentyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43213256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).