2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide

C14H19BrFNO2S — CID 63420657

IUPAC2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyWZRAPIYENPUJQQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.69
Rot. Bonds4

About 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide

2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 63420657) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID63420657
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyWZRAPIYENPUJQQ-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
2-bromo-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927018
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
4-amino-2,6-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416425

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide (CID 63420657) is 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCCCC1CNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is WZRAPIYENPUJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 364.28 g/mol, XLogP of 3.69, 4 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-[(2-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63420657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).