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

C17H13BrN4O2S — CID 90645415

IUPAC4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H13BrN4O2S/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)
InChIKeyUZUFADXRFAFRST-UHFFFAOYSA-N
MW417.29 g/mol
LogP3.01
Rot. Bonds3

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

4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide (PubChem CID 90645415) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
PubChem CID90645415
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC Name4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H13BrN4O2S/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)
InChIKeyUZUFADXRFAFRST-UHFFFAOYSA-N
XLogP3.01
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-Bromophenyl)-11-oxo-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-5-yl]benzenesulfonamide
CID 90645424
4-[3-(4-Bromophenyl)-11,12-dioxo-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-5-yl]benzenesulfonamide
CID 90645425
1-[4-(4-Bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-(4-nitrophenyl)thiourea
CID 118716499
1-(4-Bromophenyl)-3-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]thiourea
CID 118716500
1-[4-(4-Bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-(4-iodophenyl)thiourea
CID 118716501
1-[4-(4-Bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-(4-sulfamoylphenyl)thiourea
CID 118716502
4-[2-(Benzenesulfonamido)-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 118716504
4-[3-(4-Bromophenyl)-12-cyano-13-imino-5,7,9,10,14-pentazatricyclo[7.5.0.02,6]tetradeca-1(14),2(6),3,7,11-pentaen-5-yl]benzenesulfonamide
CID 136607460
ethyl (1E)-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]methanimidate
CID 90645416
4-[3-Amino-5-(4-bromophenyl)-4-iminopyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 90645417
4-[3-(4-Bromophenyl)-11,13-dimethyl-5,7,9,10,14-pentazatricyclo[7.5.0.02,6]tetradeca-1(14),2(6),3,7,10,12-hexaen-5-yl]benzenesulfonamide
CID 90645426
4-[3-(4-Bromophenyl)-11-methyl-13-phenyl-5,7,9,10,14-pentazatricyclo[7.5.0.02,6]tetradeca-1(14),2(6),3,7,10,12-hexaen-5-yl]benzenesulfonamide
CID 90645432

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide (CID 90645415) is 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide is N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
The InChIKey is UZUFADXRFAFRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/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-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide?
4-[2-amino-4-(4-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide has a molecular weight of 417.29 g/mol, XLogP of 3.01, 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-bromophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 90645415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).