N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide

C15H20F2N2O2S — CID 126769864

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2S/c16-12-7-13(17)9-15(8-12)22(20,21)18-14-3-5-19(6-4-14)10-11-1-2-11/h7-9,11,14,18H,1-6,10H2
InChIKeyNKXVNGNEPFZMIG-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide

N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide (PubChem CID 126769864) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
PubChem CID126769864
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2S/c16-12-7-13(17)9-15(8-12)22(20,21)18-14-3-5-19(6-4-14)10-11-1-2-11/h7-9,11,14,18H,1-6,10H2
InChIKeyNKXVNGNEPFZMIG-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 71685677
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
CID 43597821
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide (CID 126769864) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide is O=S(=O)(NC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide?
The InChIKey is NKXVNGNEPFZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c16-12-7-13(17)9-15(8-12)22(20,21)18-14-3-5-19(6-4-14)10-11-1-2-11/h7-9,11,14,18H,1-6,10H2.
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 126769864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).