N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide

C13H16ClN3O2S — CID 107808236

IUPACN-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C#N)cc2Cl)CC1
InChIInChI=1S/C13H16ClN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-13-3-2-11(9-15)8-12(13)14/h2-3,8,10,16H,4-7H2,1H3
InChIKeyYZCDWNPCNKZTRR-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.60
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide

N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 107808236) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID107808236
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C#N)cc2Cl)CC1
InChIInChI=1S/C13H16ClN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-13-3-2-11(9-15)8-12(13)14/h2-3,8,10,16H,4-7H2,1H3
InChIKeyYZCDWNPCNKZTRR-UHFFFAOYSA-N
XLogP2.60
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)piperidine-1-sulfonamide
CID 2991905
[(2-Chloro-4-methylphenyl)sulfamoyl]dimethylamine
CID 35767306
3-Chloro-2-[(1-methylsulfonylpiperidin-4-yl)methylamino]benzonitrile
CID 71871185
N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 11615562
3-[bis(4-fluorophenyl)methyl]-N-(2-chloro-4-methylphenyl)piperidine-1-sulfonamide
CID 169831285
3-Chloro-4-(3,5-dimethylpiperazin-1-yl)benzonitrile
CID 63092747
N-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 61254481
N-(4-cyano-2-fluorophenyl)-3-methylpiperidine-1-sulfonamide
CID 81634978
N-(4-cyano-2-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 81651711
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
3-Chloro-4-(2,2,2-trifluoroethylsulfamoylamino)benzonitrile
CID 107808225
3-Chloro-4-(ethylamino)benzonitrile
CID 22379946

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide (CID 107808236) is N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccc(C#N)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is YZCDWNPCNKZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-10-4-6-17(7-5-10)20(18,19)16-13-3-2-11(9-15)8-12(13)14/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide?
N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107808236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).