3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide

C13H18BrNO4S — CID 62359246

IUPAC3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2O)cc1Br
InChIInChI=1S/C13H18BrNO4S/c1-19-13-7-6-9(8-10(13)14)20(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3
InChIKeyJFOIEHCQVDGXIA-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.04
Rot. Bonds4

About 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide

3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide (PubChem CID 62359246) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
PubChem CID62359246
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2O)cc1Br
InChIInChI=1S/C13H18BrNO4S/c1-19-13-7-6-9(8-10(13)14)20(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3
InChIKeyJFOIEHCQVDGXIA-UHFFFAOYSA-N
XLogP2.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
3-bromo-4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597234
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide
CID 102739268
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide (CID 62359246) is 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2O)cc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
The InChIKey is JFOIEHCQVDGXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-19-13-7-6-9(8-10(13)14)20(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3.
What are the key properties of 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide has a molecular weight of 364.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 62359246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).