2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H15BrFNO3S — CID 65110234

IUPAC2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c13-10-7-9(14)3-4-11(10)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2
InChIKeyIDPBNBINZSBIFP-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.17
Rot. Bonds4

About 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 65110234) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID65110234
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c13-10-7-9(14)3-4-11(10)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2
InChIKeyIDPBNBINZSBIFP-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 65105759
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 65110234) is 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is IDPBNBINZSBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c13-10-7-9(14)3-4-11(10)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2.
What are the key properties of 2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 352.23 g/mol, XLogP of 2.17, 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-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65110234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).