N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide

C13H17N3O2S — CID 62303926

IUPACN-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17N3O2S/c14-9-8-12-4-6-13(7-5-12)15-19(17,18)16-10-2-1-3-11-16/h4-7,15H,1-3,8,10-11H2
InChIKeyUXXFLLIFGGKNLH-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.90
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide

N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide (PubChem CID 62303926) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
PubChem CID62303926
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17N3O2S/c14-9-8-12-4-6-13(7-5-12)15-19(17,18)16-10-2-1-3-11-16/h4-7,15H,1-3,8,10-11H2
InChIKeyUXXFLLIFGGKNLH-UHFFFAOYSA-N
XLogP1.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(Piperidin-1-ylmethyl)aniline
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4-[(4-Methylpiperidin-1-yl)methyl]aniline
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Mls002638339
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N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
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4-(2-Ethyl-piperidin-1-ylmethyl)-phenylamine
CID 3158971
[(Dimethylamino)sulfonyl](4-butylphenyl)amine
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1-Piperidinesulfonanilide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide (CID 62303926) is N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide is N#CCc1ccc(NS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide?
The InChIKey is UXXFLLIFGGKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-9-8-12-4-6-13(7-5-12)15-19(17,18)16-10-2-1-3-11-16/h4-7,15H,1-3,8,10-11H2.
What are the key properties of N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide?
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 62303926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).