3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide

C23H21N3O4S — CID 135455053

IUPAC3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILES[H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C23H21N3O4S/c1-30-19-12-10-17(11-13-19)25-31(28,29)20-9-5-8-18(14-20)26-15-21(27)22(23(26)24)16-6-3-2-4-7-16/h2-14,24-25,27H,15H2,1H3/b24-23+
InChIKeyZFMFTWZYCRKOGZ-WCWDXBQESA-N
MW435.51 g/mol
LogP4.26
Rot. Bonds6

About 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide

3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 135455053) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID135455053
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILES[H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C23H21N3O4S/c1-30-19-12-10-17(11-13-19)25-31(28,29)20-9-5-8-18(14-20)26-15-21(27)22(23(26)24)16-6-3-2-4-7-16/h2-14,24-25,27H,15H2,1H3/b24-23+
InChIKeyZFMFTWZYCRKOGZ-WCWDXBQESA-N
XLogP4.26
TPSA102.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol
CID 135709455
2-[[3-[4-(1H-benzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]phenyl]sulfonylamino]benzoic acid
CID 135533998
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55985947
N,3-diphenylbenzenesulfonamide
CID 54513984

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 135455053) is 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide is [H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZFMFTWZYCRKOGZ-WCWDXBQESA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-30-19-12-10-17(11-13-19)25-31(28,29)20-9-5-8-18(14-20)26-15-21(27)22(23(26)24)16-6-3-2-4-7-16/h2-14,24-25,27H,15H2,1H3/b24-23+.
What are the key properties of 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 135455053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).