4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide

C15H22BrNO3S — CID 65121490

IUPAC4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1(C)CCC(O)(CNS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO3S/c1-14(2)7-9-15(18,10-8-14)11-17-21(19,20)13-5-3-12(16)4-6-13/h3-6,17-18H,7-11H2,1-2H3
InChIKeyWBYBVZFOYRHUMO-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.06
Rot. Bonds4

About 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide

4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65121490) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65121490
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1(C)CCC(O)(CNS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO3S/c1-14(2)7-9-15(18,10-8-14)11-17-21(19,20)13-5-3-12(16)4-6-13/h3-6,17-18H,7-11H2,1-2H3
InChIKeyWBYBVZFOYRHUMO-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide (CID 65121490) is 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide is CC1(C)CCC(O)(CNS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is WBYBVZFOYRHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-14(2)7-9-15(18,10-8-14)11-17-21(19,20)13-5-3-12(16)4-6-13/h3-6,17-18H,7-11H2,1-2H3.
What are the key properties of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide?
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65121490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).