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

C13H18BrNO3S — CID 43417293

IUPAC2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3S/c1-9-2-7-13(12(14)8-9)19(17,18)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3
InChIKeyJVNCBZZEOIRBKK-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.34
Rot. Bonds3

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

2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (PubChem CID 43417293) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
PubChem CID43417293
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3S/c1-9-2-7-13(12(14)8-9)19(17,18)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3
InChIKeyJVNCBZZEOIRBKK-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-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597330
N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597913
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
2-[(2-bromo-4-methylphenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361648
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
CID 91647304
2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
CID 63421394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (CID 43417293) is 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The InChIKey is JVNCBZZEOIRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-9-2-7-13(12(14)8-9)19(17,18)15-10-3-5-11(16)6-4-10/h2,7-8,10-11,15-16H,3-6H2,1H3.
What are the key properties of 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
2-bromo-N-(4-hydroxycyclohexyl)-4-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 2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43417293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).