2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide

C17H21N3O3S — CID 110822198

IUPAC2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H21N3O3S/c18-12-14-4-1-2-7-16(14)24(22,23)19-15-8-10-20(11-9-15)17(21)13-5-3-6-13/h1-2,4,7,13,15,19H,3,5-6,8-11H2
InChIKeyLHVNPDAUQDCWRD-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.63
Rot. Bonds4

About 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide

2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 110822198) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID110822198
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H21N3O3S/c18-12-14-4-1-2-7-16(14)24(22,23)19-15-8-10-20(11-9-15)17(21)13-5-3-6-13/h1-2,4,7,13,15,19H,3,5-6,8-11H2
InChIKeyLHVNPDAUQDCWRD-UHFFFAOYSA-N
XLogP1.63
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide (CID 110822198) is 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NC1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is LHVNPDAUQDCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c18-12-14-4-1-2-7-16(14)24(22,23)19-15-8-10-20(11-9-15)17(21)13-5-3-6-13/h1-2,4,7,13,15,19H,3,5-6,8-11H2.
What are the key properties of 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide?
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 110822198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).