2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C13H17BrFNO3S — CID 62522204

IUPAC2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3S/c14-11-8-10(15)4-5-12(11)20(18,19)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyYVWAVCXIOYSAQK-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.56
Rot. Bonds4

About 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 62522204) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID62522204
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC Name2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3S/c14-11-8-10(15)4-5-12(11)20(18,19)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyYVWAVCXIOYSAQK-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521145
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521072
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65110234
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 62522204) is 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is YVWAVCXIOYSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c14-11-8-10(15)4-5-12(11)20(18,19)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2.
What are the key properties of 2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 366.25 g/mol, XLogP of 2.56, 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-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62522204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).