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

C12H15BrClNO3S — CID 134367233

IUPAC4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2
InChIKeyJCOQROSGANUFQJ-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.68
Rot. Bonds3

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

4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 134367233) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID134367233
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2
InChIKeyJCOQROSGANUFQJ-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
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2,6-dichloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43389462
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
5-bromo-2-chlorobenzenesulfonyl chloride;5-bromo-2-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 87549933
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 134367233) is 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCC(O)CC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is JCOQROSGANUFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2.
What are the key properties of 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
4-bromo-3-chloro-N-(4-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 4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 134367233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).