1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide

C21H15Cl3N2O3S — CID 100765624

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O3S/c22-15-2-5-17(6-3-15)30(28,29)26-10-9-13-11-14(1-8-20(13)26)21(27)25-16-4-7-18(23)19(24)12-16/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeyHWLZJKOWVAVUOF-UHFFFAOYSA-N
MW481.79 g/mol
LogP5.65
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 100765624) has the molecular formula C21H15Cl3N2O3S and a molecular weight of 481.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID100765624
Molecular FormulaC21H15Cl3N2O3S
Molecular Weight481.79 g/mol
Exact Mass479.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O3S/c22-15-2-5-17(6-3-15)30(28,29)26-10-9-13-11-14(1-8-20(13)26)21(27)25-16-4-7-18(23)19(24)12-16/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeyHWLZJKOWVAVUOF-UHFFFAOYSA-N
XLogP5.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.79
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801370
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide
CID 100775711
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide (CID 100765624) is 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is HWLZJKOWVAVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O3S/c22-15-2-5-17(6-3-15)30(28,29)26-10-9-13-11-14(1-8-20(13)26)21(27)25-16-4-7-18(23)19(24)12-16/h1-8,11-12H,9-10H2,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 481.79 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100765624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).