4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide

C22H17N5O2S — CID 52946918

IUPAC4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESN#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1N
InChIInChI=1S/C22H17N5O2S/c23-14-19-20(16-6-2-1-3-7-16)15-27(22(19)24)17-9-11-18(12-10-17)30(28,29)26-21-8-4-5-13-25-21/h1-13,15H,24H2,(H,25,26)
InChIKeyIVJVYZRWXOGSDC-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.79
Rot. Bonds5

About 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide

4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 52946918) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID52946918
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESN#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1N
InChIInChI=1S/C22H17N5O2S/c23-14-19-20(16-6-2-1-3-7-16)15-27(22(19)24)17-9-11-18(12-10-17)30(28,29)26-21-8-4-5-13-25-21/h1-13,15H,24H2,(H,25,26)
InChIKeyIVJVYZRWXOGSDC-UHFFFAOYSA-N
XLogP3.79
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
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
N-(5-(3-(3-Cyanophenyl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936961
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
4-amino-N-(5-methyl-2-pyridinyl)Benzenesulfonamide
CID 3663786
1-(5-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 44298843
4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide
CID 71579867
4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
CID 71579869

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide (CID 52946918) is 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide is N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1N.
What is the InChIKey of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is IVJVYZRWXOGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c23-14-19-20(16-6-2-1-3-7-16)15-27(22(19)24)17-9-11-18(12-10-17)30(28,29)26-21-8-4-5-13-25-21/h1-13,15H,24H2,(H,25,26).
What are the key properties of 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide?
4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 52946918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).