5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide

C13H18BrNO3S — CID 43392103

IUPAC5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H18BrNO3S/c1-9-2-3-10(14)8-13(9)19(17,18)15-11-4-6-12(16)7-5-11/h2-3,8,11-12,15-16H,4-7H2,1H3
InChIKeyQWTRNYOPWGOMSO-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide

5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide (PubChem CID 43392103) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
PubChem CID43392103
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C13H18BrNO3S/c1-9-2-3-10(14)8-13(9)19(17,18)15-11-4-6-12(16)7-5-11/h2-3,8,11-12,15-16H,4-7H2,1H3
InChIKeyQWTRNYOPWGOMSO-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 60660673
5-bromo-2-chlorobenzenesulfonyl chloride;5-bromo-2-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 87549933
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 146411611
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide (CID 43392103) is 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The InChIKey is QWTRNYOPWGOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-9-2-3-10(14)8-13(9)19(17,18)15-11-4-6-12(16)7-5-11/h2-3,8,11-12,15-16H,4-7H2,1H3.
What are the key properties of 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43392103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).