1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide

C27H22N2O3S2 — CID 100766585

IUPAC1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H22N2O3S2/c30-27(28-24-13-7-8-14-26(24)33-22-9-3-1-4-10-22)21-15-16-25-20(19-21)17-18-29(25)34(31,32)23-11-5-2-6-12-23/h1-16,19H,17-18H2,(H,28,30)
InChIKeyLOQLDHMZSDTIFP-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.84
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide

1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 100766585) has the molecular formula C27H22N2O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID100766585
Molecular FormulaC27H22N2O3S2
Molecular Weight486.62 g/mol
Exact Mass486.11
IUPAC Name1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H22N2O3S2/c30-27(28-24-13-7-8-14-26(24)33-22-9-3-1-4-10-22)21-15-16-25-20(19-21)17-18-29(25)34(31,32)23-11-5-2-6-12-23/h1-16,19H,17-18H2,(H,28,30)
InChIKeyLOQLDHMZSDTIFP-UHFFFAOYSA-N
XLogP5.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 100766221
1-methylsulfonyl-N-[2-(trifluoromethylsulfanyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78878759
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801358
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 23608824

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide (CID 100766585) is 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is LOQLDHMZSDTIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S2/c30-27(28-24-13-7-8-14-26(24)33-22-9-3-1-4-10-22)21-15-16-25-20(19-21)17-18-29(25)34(31,32)23-11-5-2-6-12-23/h1-16,19H,17-18H2,(H,28,30).
What are the key properties of 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide?
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100766585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).