N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide

C27H22N2O3S — CID 1010301

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O3S/c30-27(23-12-10-21(11-13-23)20-6-2-1-3-7-20)28-24-14-16-25(17-15-24)33(31,32)29-19-18-22-8-4-5-9-26(22)29/h1-17H,18-19H2,(H,28,30)
InChIKeyWCAJXBMXGAWKEW-UHFFFAOYSA-N
MW454.55 g/mol
LogP5.36
Rot. Bonds5

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide (PubChem CID 1010301) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
PubChem CID1010301
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2O3S/c30-27(23-12-10-21(11-13-23)20-6-2-1-3-7-20)28-24-14-16-25(17-15-24)33(31,32)29-19-18-22-8-4-5-9-26(22)29/h1-17H,18-19H2,(H,28,30)
InChIKeyWCAJXBMXGAWKEW-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide (CID 1010301) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide is O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide?
The InChIKey is WCAJXBMXGAWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S/c30-27(23-12-10-21(11-13-23)20-6-2-1-3-7-20)28-24-14-16-25(17-15-24)33(31,32)29-19-18-22-8-4-5-9-26(22)29/h1-17H,18-19H2,(H,28,30).
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 1010301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).