4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

C23H20N4O4S — CID 135951622

IUPAC4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C23H20N4O4S/c1-32(30,31)27(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)22(28)26-25-21-19-9-5-6-10-20(19)24-23(21)29/h2-14,24,29H,15H2,1H3/b26-25+
InChIKeyORKOUEAPOHEXRB-OCEACIFDSA-N
MW448.50 g/mol
LogP4.76
Rot. Bonds6

About 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135951622) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135951622
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C23H20N4O4S/c1-32(30,31)27(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)22(28)26-25-21-19-9-5-6-10-20(19)24-23(21)29/h2-14,24,29H,15H2,1H3/b26-25+
InChIKeyORKOUEAPOHEXRB-OCEACIFDSA-N
XLogP4.76
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077873
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077764
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4207939
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3733193
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[benzyl(methylsulfonyl)amino]-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 21212164
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
CID 5153691
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 27868265

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135951622) is 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is ORKOUEAPOHEXRB-OCEACIFDSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-32(30,31)27(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)22(28)26-25-21-19-9-5-6-10-20(19)24-23(21)29/h2-14,24,29H,15H2,1H3/b26-25+.
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135951622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).