3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H15F2NO3S — CID 103270285

IUPAC3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c13-11-4-3-10(6-12(11)14)19(17,18)15-7-8-1-2-9(16)5-8/h3-4,6,8-9,15-16H,1-2,5,7H2
InChIKeyFKJMEHSRAJPLNK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.40
Rot. Bonds4

About 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 103270285) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID103270285
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c13-11-4-3-10(6-12(11)14)19(17,18)15-7-8-1-2-9(16)5-8/h3-4,6,8-9,15-16H,1-2,5,7H2
InChIKeyFKJMEHSRAJPLNK-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
N-[(3-hydroxycyclopentyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 103270306
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 86849113
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 103270285) is 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(O)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is FKJMEHSRAJPLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-11-4-3-10(6-12(11)14)19(17,18)15-7-8-1-2-9(16)5-8/h3-4,6,8-9,15-16H,1-2,5,7H2.
What are the key properties of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103270285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).