4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide

C24H16Br2N4O3S — CID 118716512

IUPAC4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
InChIKeyQPKBOSLBNMSUAL-UHFFFAOYSA-N
MW600.29 g/mol
LogP5.44
Rot. Bonds5

About 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide

4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide (PubChem CID 118716512) has the molecular formula C24H16Br2N4O3S and a molecular weight of 600.29 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide
PubChem CID118716512
Molecular FormulaC24H16Br2N4O3S
Molecular Weight600.29 g/mol
Exact Mass597.93
IUPAC Name4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide
SMILESN#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
InChIKeyQPKBOSLBNMSUAL-UHFFFAOYSA-N
XLogP5.44
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.29
LogP ≤ 55.44
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
4-[5-(4-bromophenyl)-4-imino-3-[(Z)-(4-oxo-4-phenylbutan-2-ylidene)amino]pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 90645431
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
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]-3-oxobutanamide
CID 118716511
4-[3-Benzoyl-5-(4-bromophenyl)-4-oxo-2-phenylpyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 118716513
2-N-(5-bromo-2-pyridinyl)-1-N-[4-(2-sulfamoylphenyl)phenyl]benzene-1,2-dicarboxamide
CID 9850562
4-[5-(4-bromophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 138555612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide (CID 118716512) is 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide is N#Cc1c(-c2ccc(Br)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide?
The InChIKey is QPKBOSLBNMSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33).
What are the key properties of 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide?
4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide has a molecular weight of 600.29 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-bromophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]benzamide is sourced from PubChem (CID 118716512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).