2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide

C13H17BrFNO2S — CID 47257511

IUPAC2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFNO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyJQNXZADNLBOLEM-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide

2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 47257511) has the molecular formula C13H17BrFNO2S and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID47257511
Molecular FormulaC13H17BrFNO2S
Molecular Weight350.25 g/mol
Exact Mass349.01
IUPAC Name2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFNO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3
InChIKeyJQNXZADNLBOLEM-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
2-bromo-4-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
CID 86966763
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide (CID 47257511) is 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2ccc(F)cc2Br)C1.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is JQNXZADNLBOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h5-6,8-9,11,16H,2-4,7H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 350.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 47257511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).