2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C13H16BrF2NO3S — CID 62521145

IUPAC2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO3S/c14-10-6-9(15)7-11(16)12(10)21(19,20)17-13(8-18)4-2-1-3-5-13/h6-7,17-18H,1-5,8H2
InChIKeyNSRZJGVQYGRJPD-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.70
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 62521145) has the molecular formula C13H16BrF2NO3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID62521145
Molecular FormulaC13H16BrF2NO3S
Molecular Weight384.24 g/mol
Exact Mass383.00
IUPAC Name2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO3S/c14-10-6-9(15)7-11(16)12(10)21(19,20)17-13(8-18)4-2-1-3-5-13/h6-7,17-18H,1-5,8H2
InChIKeyNSRZJGVQYGRJPD-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521072
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4,6-difluorobenzenesulfonamide
CID 63888607
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 62521145) is 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is NSRZJGVQYGRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO3S/c14-10-6-9(15)7-11(16)12(10)21(19,20)17-13(8-18)4-2-1-3-5-13/h6-7,17-18H,1-5,8H2.
What are the key properties of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 384.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).