3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H15BrClNO3S — CID 106546349

IUPAC3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO3S/c13-10-6-9(4-5-11(10)14)19(17,18)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7H2
InChIKeyYUSDHJAMZNNJNB-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.54
Rot. Bonds4

About 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide

3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 106546349) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID106546349
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO3S/c13-10-6-9(4-5-11(10)14)19(17,18)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7H2
InChIKeyYUSDHJAMZNNJNB-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 64911363
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 106546349) is 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCC1O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is YUSDHJAMZNNJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c13-10-6-9(4-5-11(10)14)19(17,18)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7H2.
What are the key properties of 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide?
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106546349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).