4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide

C17H14N4O2S — CID 11522926

IUPAC4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide
SMILESN#Cc1c(-c2ccccc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H14N4O2S/c18-10-15-16(12-4-2-1-3-5-12)11-21(17(15)19)13-6-8-14(9-7-13)24(20,22)23/h1-9,11H,19H2,(H2,20,22,23)
InChIKeyCYOZWDBFBDPNOS-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.25
Rot. Bonds3

About 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide

4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide (PubChem CID 11522926) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide
PubChem CID11522926
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide
SMILESN#Cc1c(-c2ccccc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C17H14N4O2S/c18-10-15-16(12-4-2-1-3-5-12)11-21(17(15)19)13-6-8-14(9-7-13)24(20,22)23/h1-9,11H,19H2,(H2,20,22,23)
InChIKeyCYOZWDBFBDPNOS-UHFFFAOYSA-N
XLogP2.25
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.25
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-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
4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
CID 71579869
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
1-[4-(4-Bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-3-phenylthiourea
CID 118716496
N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]-4-methylbenzenesulfonamide
CID 118716505
N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]ethanethioamide
CID 118716509

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide (CID 11522926) is 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide is N#Cc1c(-c2ccccc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide?
The InChIKey is CYOZWDBFBDPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-10-15-16(12-4-2-1-3-5-12)11-21(17(15)19)13-6-8-14(9-7-13)24(20,22)23/h1-9,11H,19H2,(H2,20,22,23).
What are the key properties of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide?
4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 11522926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).