N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide

C17H17F2NO3S — CID 35548330

IUPACN-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO3S/c18-12-5-10-16(19)17(11-12)24(21,22)20-13-6-8-15(9-7-13)23-14-3-1-2-4-14/h5-11,14,20H,1-4H2
InChIKeyWMDZWDOSFYVPMU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.09
Rot. Bonds5

About N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide

N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 35548330) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
PubChem CID35548330
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO3S/c18-12-5-10-16(19)17(11-12)24(21,22)20-13-6-8-15(9-7-13)23-14-3-1-2-4-14/h5-11,14,20H,1-4H2
InChIKeyWMDZWDOSFYVPMU-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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide (CID 35548330) is N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is WMDZWDOSFYVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-12-5-10-16(19)17(11-12)24(21,22)20-13-6-8-15(9-7-13)23-14-3-1-2-4-14/h5-11,14,20H,1-4H2.
What are the key properties of N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide?
N-(4-cyclopentyloxyphenyl)-2,5-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-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 35548330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).