4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide

C24H17ClN4O3S — CID 162657354

IUPAC4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccccc1O
InChIInChI=1S/C24H17ClN4O3S/c25-18-7-5-16(6-8-18)22-15-29(19-9-11-20(12-10-19)33(27,31)32)24(21(22)13-26)28-14-17-3-1-2-4-23(17)30/h1-12,14-15,30H,(H2,27,31,32)/b28-14+
InChIKeyLKHDMMDQFZTVJM-CCVNUDIWSA-N
MW476.95 g/mol
LogP4.77
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide (PubChem CID 162657354) has the molecular formula C24H17ClN4O3S and a molecular weight of 476.95 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
PubChem CID162657354
Molecular FormulaC24H17ClN4O3S
Molecular Weight476.95 g/mol
Exact Mass476.07
IUPAC Name4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccccc1O
InChIInChI=1S/C24H17ClN4O3S/c25-18-7-5-16(6-8-18)22-15-29(19-9-11-20(12-10-19)33(27,31)32)24(21(22)13-26)28-14-17-3-1-2-4-23(17)30/h1-12,14-15,30H,(H2,27,31,32)/b28-14+
InChIKeyLKHDMMDQFZTVJM-CCVNUDIWSA-N
XLogP4.77
TPSA121.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-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-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162647540
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(4-methoxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162654294
4-[2-[(E)-benzylideneamino]-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 162655861
4-[4-(4-Chlorophenyl)-3-cyano-2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 172045111
4-[4-(4-Chlorophenyl)-3-cyano-2-[(4-methoxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 172045687
4-[2-(Benzylideneamino)-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 172045804
4-[4-(4-Chlorophenyl)-3-cyano-2-[(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 172045935
4-[2-[(E)-(4-chlorophenyl)methylideneamino]-3-cyano-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 11845737

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide (CID 162657354) is 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide is N#Cc1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1/N=C/c1ccccc1O.
What is the InChIKey of 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide?
The InChIKey is LKHDMMDQFZTVJM-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H17ClN4O3S/c25-18-7-5-16(6-8-18)22-15-29(19-9-11-20(12-10-19)33(27,31)32)24(21(22)13-26)28-14-17-3-1-2-4-23(17)30/h1-12,14-15,30H,(H2,27,31,32)/b28-14+.
What are the key properties of 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide has a molecular weight of 476.95 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 162657354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).