2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide

C15H20ClN3O2S — CID 136521741

IUPAC2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC1CCCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1
InChIInChI=1S/C15H20ClN3O2S/c1-12-3-2-7-19(11-12)8-6-18-22(20,21)15-5-4-13(10-17)9-14(15)16/h4-5,9,12,18H,2-3,6-8,11H2,1H3
InChIKeyXUUUDLJXQUEWGE-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide

2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 136521741) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID136521741
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC1CCCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1
InChIInChI=1S/C15H20ClN3O2S/c1-12-3-2-7-19(11-12)8-6-18-22(20,21)15-5-4-13(10-17)9-14(15)16/h4-5,9,12,18H,2-3,6-8,11H2,1H3
InChIKeyXUUUDLJXQUEWGE-UHFFFAOYSA-N
XLogP2.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 103989437
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-4-cyanobenzenesulfonamide
CID 103989367
3-chloro-4-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 99617701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide (CID 136521741) is 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide is CC1CCCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1.
What is the InChIKey of 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is XUUUDLJXQUEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-12-3-2-7-19(11-12)8-6-18-22(20,21)15-5-4-13(10-17)9-14(15)16/h4-5,9,12,18H,2-3,6-8,11H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 136521741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).