N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide

C17H24F2N2O2S — CID 71685677

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCCC2)CC1)c1c(F)cccc1F
InChIInChI=1S/C17H24F2N2O2S/c18-15-6-3-7-16(19)17(15)24(22,23)20-14-8-10-21(11-9-14)12-13-4-1-2-5-13/h3,6-7,13-14,20H,1-2,4-5,8-12H2
InChIKeyCGNGKYABDMHOGZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide

N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 71685677) has the molecular formula C17H24F2N2O2S and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
PubChem CID71685677
Molecular FormulaC17H24F2N2O2S
Molecular Weight358.45 g/mol
Exact Mass358.15
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCCC2)CC1)c1c(F)cccc1F
InChIInChI=1S/C17H24F2N2O2S/c18-15-6-3-7-16(19)17(15)24(22,23)20-14-8-10-21(11-9-14)12-13-4-1-2-5-13/h3,6-7,13-14,20H,1-2,4-5,8-12H2
InChIKeyCGNGKYABDMHOGZ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
CID 75364443
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide (CID 71685677) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NC1CCN(CC2CCCC2)CC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is CGNGKYABDMHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2S/c18-15-6-3-7-16(19)17(15)24(22,23)20-14-8-10-21(11-9-14)12-13-4-1-2-5-13/h3,6-7,13-14,20H,1-2,4-5,8-12H2.
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 358.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 71685677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).