N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide

C17H17F2NO3S — CID 35547755

IUPACN-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO3S/c18-16-9-8-15(11-17(16)19)24(21,22)20-12-4-3-7-14(10-12)23-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2
InChIKeyXEVKKZSTXZOYBE-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.09
Rot. Bonds5

About N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide

N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 35547755) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID35547755
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO3S/c18-16-9-8-15(11-17(16)19)24(21,22)20-12-4-3-7-14(10-12)23-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2
InChIKeyXEVKKZSTXZOYBE-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
N-(4-cyclopentyloxyphenyl)-2,6-difluorobenzenesulfonamide
CID 35548239
N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
CID 35548330
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide (CID 35547755) is N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is XEVKKZSTXZOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-16-9-8-15(11-17(16)19)24(21,22)20-12-4-3-7-14(10-12)23-13-5-1-2-6-13/h3-4,7-11,13,20H,1-2,5-6H2.
What are the key properties of N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide?
N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 353.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 35547755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).