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

C12H14BrF2NO3S — CID 62521072

IUPAC2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO3S/c13-9-5-8(14)6-10(15)11(9)20(18,19)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7H2
InChIKeyYYVRVLFAKDLFBA-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.31
Rot. Bonds4

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

2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 62521072) has the molecular formula C12H14BrF2NO3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID62521072
Molecular FormulaC12H14BrF2NO3S
Molecular Weight370.22 g/mol
Exact Mass368.98
IUPAC Name2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H14BrF2NO3S/c13-9-5-8(14)6-10(15)11(9)20(18,19)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7H2
InChIKeyYYVRVLFAKDLFBA-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521145
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
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
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 62521072) is 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCC1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is YYVRVLFAKDLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO3S/c13-9-5-8(14)6-10(15)11(9)20(18,19)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7H2.
What are the key properties of 2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 2.31, 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)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 62521072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).