4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C20H23N3O4S2 — CID 42998815

IUPAC4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-15-4-3-5-16(2)23(15)29(26,27)20-12-8-18(9-13-20)22-28(24,25)19-10-6-17(14-21)7-11-19/h6-13,15-16,22H,3-5H2,1-2H3
InChIKeyCPJWOVGOGLGXDS-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.31
Rot. Bonds5

About 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 42998815) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID42998815
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-15-4-3-5-16(2)23(15)29(26,27)20-12-8-18(9-13-20)22-28(24,25)19-10-6-17(14-21)7-11-19/h6-13,15-16,22H,3-5H2,1-2H3
InChIKeyCPJWOVGOGLGXDS-UHFFFAOYSA-N
XLogP3.31
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
2,4,5-trichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684524
2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylanilino]methylidene]propanedinitrile
CID 168542499
3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid
CID 42913165
2,5-dichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684508
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 42998815) is 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is CC1CCCC(C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is CPJWOVGOGLGXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-15-4-3-5-16(2)23(15)29(26,27)20-12-8-18(9-13-20)22-28(24,25)19-10-6-17(14-21)7-11-19/h6-13,15-16,22H,3-5H2,1-2H3.
What are the key properties of 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 42998815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).