2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

C14H18ClN3O2S — CID 80697990

IUPAC2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1
InChIInChI=1S/C14H18ClN3O2S/c1-2-18-7-3-4-12(10-18)17-21(19,20)14-8-11(9-16)5-6-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3
InChIKeyFFZAZYBHQJQZMP-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (PubChem CID 80697990) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
PubChem CID80697990
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1
InChIInChI=1S/C14H18ClN3O2S/c1-2-18-7-3-4-12(10-18)17-21(19,20)14-8-11(9-16)5-6-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3
InChIKeyFFZAZYBHQJQZMP-UHFFFAOYSA-N
XLogP1.97
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (CID 80697990) is 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1.
What is the InChIKey of 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is FFZAZYBHQJQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-2-18-7-3-4-12(10-18)17-21(19,20)14-8-11(9-16)5-6-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 80697990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).