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

C13H17BrFNO3S — CID 64913293

IUPAC2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8H2
InChIKeyFIURFXHFWNKGMM-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.42
Rot. Bonds4

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

2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 64913293) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID64913293
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC Name2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8H2
InChIKeyFIURFXHFWNKGMM-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 63420657
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
2-bromo-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927018
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 64913293) is 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCCC1O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is FIURFXHFWNKGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8H2.
What are the key properties of 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 366.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 64913293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).