3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide

C12H15BrClNO2S — CID 106612264

IUPAC3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-11(14)10(13)7-9/h5-8,12,15H,2-4H2,1H3
InChIKeyNFSNQMGVBRCAPN-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.57
Rot. Bonds3

About 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide

3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 106612264) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID106612264
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-11(14)10(13)7-9/h5-8,12,15H,2-4H2,1H3
InChIKeyNFSNQMGVBRCAPN-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide (CID 106612264) is 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is NFSNQMGVBRCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c1-8-3-2-4-12(8)15-18(16,17)9-5-6-11(14)10(13)7-9/h5-8,12,15H,2-4H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106612264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).