N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide

C27H21N3O3S — CID 126556225

IUPACN-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H21N3O3S/c28-24-8-4-5-9-25(24)29-27(31)22-12-15-26-21(18-22)16-17-30(26)34(32,33)23-13-10-20(11-14-23)19-6-2-1-3-7-19/h1-18H,28H2,(H,29,31)
InChIKeyGNYYVIUKEHVGMY-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.38
Rot. Bonds5

About N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide

N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide (PubChem CID 126556225) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide
PubChem CID126556225
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC NameN-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H21N3O3S/c28-24-8-4-5-9-25(24)29-27(31)22-12-15-26-21(18-22)16-17-30(26)34(32,33)23-13-10-20(11-14-23)19-6-2-1-3-7-19/h1-18H,28H2,(H,29,31)
InChIKeyGNYYVIUKEHVGMY-UHFFFAOYSA-N
XLogP5.38
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
4-[(2-aminophenyl)carbamoyl]benzoic acid
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N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
2-fluoro-5-indol-1-ylsulfonylaniline
CID 71494011
N-(2-chlorophenyl)-1-methylindole-5-carboxamide
CID 112520448
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
ethyl 2-[2-[[7-bromo-1-(4-methylphenyl)sulfonylindole-5-carbonyl]amino]phenyl]acetate
CID 139561989
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
N-(2-aminophenyl)-2-benzylindazole-5-carboxamide
CID 86299757

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide (CID 126556225) is N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide is Nc1ccccc1NC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide?
The InChIKey is GNYYVIUKEHVGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c28-24-8-4-5-9-25(24)29-27(31)22-12-15-26-21(18-22)16-17-30(26)34(32,33)23-13-10-20(11-14-23)19-6-2-1-3-7-19/h1-18H,28H2,(H,29,31).
What are the key properties of N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide?
N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(4-phenylphenyl)sulfonylindole-5-carboxamide is sourced from PubChem (CID 126556225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).