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

C12H15BrClNO3S — CID 106546192

IUPAC3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4H2
InChIKeyYLSTUCWQBDAMFE-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.68
Rot. Bonds3

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

3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 106546192) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
PubChem CID106546192
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4H2
InChIKeyYLSTUCWQBDAMFE-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide (CID 106546192) is 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is YLSTUCWQBDAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4H2.
What are the key properties of 3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 2.68, 3 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-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106546192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).