4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide

C17H13ClN4O2S — CID 162652887

IUPAC4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H13ClN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
InChIKeyYTUJINOQEQGXDS-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.90
Rot. Bonds3

About 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide

4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide (PubChem CID 162652887) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
PubChem CID162652887
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H13ClN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
InChIKeyYTUJINOQEQGXDS-UHFFFAOYSA-N
XLogP2.90
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 90645415
1-[4-(4-Bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-(4-chlorophenyl)thiourea
CID 118716498
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(4-nitrophenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162644953
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(3-nitrophenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162649062
N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
CID 162650316
4-[3-Amino-5-(4-chlorophenyl)-4-iminopyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162653136
4-[2-[(E)-benzylideneamino]-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 162655861
ethyl (1E)-N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]methanimidate
CID 162674050
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162676050
1H-Pyrrole-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-
CID 381120
4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 52946918
4-(2-Amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide
CID 11522926

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide (CID 162652887) is 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide is N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The InChIKey is YTUJINOQEQGXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24).
What are the key properties of 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide has a molecular weight of 372.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 162652887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).