4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide

C20H20N4O2S — CID 25216395

IUPAC4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(-n2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(C#N)c2N)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-4-8-16(9-5-14)24-13-19(18(12-21)20(24)22)15-6-10-17(11-7-15)27(25,26)23(2)3/h4-11,13H,22H2,1-3H3
InChIKeyNJWLGHUECWKMRJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.16
Rot. Bonds4

About 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide

4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 25216395) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID25216395
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(-n2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(C#N)c2N)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-4-8-16(9-5-14)24-13-19(18(12-21)20(24)22)15-6-10-17(11-7-15)27(25,26)23(2)3/h4-11,13H,22H2,1-3H3
InChIKeyNJWLGHUECWKMRJ-UHFFFAOYSA-N
XLogP3.16
TPSA92.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-2,4-dicyano-5-(4-methylphenyl)phenyl]-N,N-dimethylbenzenesulfonamide
CID 15304860
N,N-dimethyl-4-[7-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 135949441
N,N-dimethyl-4-[5-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 138555662
4-[3-amino-4-imino-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethylbenzenesulfonamide
CID 25213218
5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile
CID 2448280
1-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-(4-sulfamoylphenyl)thiourea
CID 118716502
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
5-amino-1-(4-methylphenyl)imidazole-4-carbonitrile
CID 14959004
4-[3-cyano-4-phenyl-2-[(E)-thiophen-2-ylmethylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 11845922
(E)-3-(dimethylamino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 97032798
N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
CID 58051455

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide (CID 25216395) is 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide is Cc1ccc(-n2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(C#N)c2N)cc1.
What is the InChIKey of 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NJWLGHUECWKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-4-8-16(9-5-14)24-13-19(18(12-21)20(24)22)15-6-10-17(11-7-15)27(25,26)23(2)3/h4-11,13H,22H2,1-3H3.
What are the key properties of 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide?
4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-cyano-1-(4-methylphenyl)pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 25216395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).