2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H17N3O2S — CID 43215397

IUPAC2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C13H17N3O2S/c1-16-8-6-12(7-9-16)15-19(17,18)13-5-3-2-4-11(13)10-14/h2-5,12,15H,6-9H2,1H3
InChIKeyBFQUNOSGYYQKNC-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.93
Rot. Bonds3

About 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 43215397) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID43215397
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C13H17N3O2S/c1-16-8-6-12(7-9-16)15-19(17,18)13-5-3-2-4-11(13)10-14/h2-5,12,15H,6-9H2,1H3
InChIKeyBFQUNOSGYYQKNC-UHFFFAOYSA-N
XLogP0.93
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 3592960
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
CID 110822198
2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6736499
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 115881064
2-amino-4-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 64900205
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
3-amino-N-(1-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 115993380
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 43215397) is 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is BFQUNOSGYYQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16-8-6-12(7-9-16)15-19(17,18)13-5-3-2-4-11(13)10-14/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 43215397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).