2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide

C16H24BrNO2S — CID 63421394

IUPAC2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-10-9-12(2)11-14(16)17/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyLHSFFNKTCPMEPM-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.39
Rot. Bonds5

About 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide

2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide (PubChem CID 63421394) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
PubChem CID63421394
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-10-9-12(2)11-14(16)17/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyLHSFFNKTCPMEPM-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
N-(1-cyclohexylpropyl)-2-hydrazinylbenzenesulfonamide
CID 62405804
2-bromo-N-hex-5-yn-3-yl-4-methylbenzenesulfonamide
CID 115650520
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
2-bromo-N-(3-ethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 65042425
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide (CID 63421394) is 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is LHSFFNKTCPMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-3-15(13-7-5-4-6-8-13)18-21(19,20)16-10-9-12(2)11-14(16)17/h9-11,13,15,18H,3-8H2,1-2H3.
What are the key properties of 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide?
2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 374.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 63421394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).