N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide

C22H16ClF3N2O3S — CID 141166298

IUPACN-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C22H16ClF3N2O3S/c23-17-4-2-5-18(13-17)27-21(29)15-8-7-14-9-10-28(20(14)11-15)32(30,31)19-6-1-3-16(12-19)22(24,25)26/h1-8,11-13H,9-10H2,(H,27,29)
InChIKeyKNVRFLCBOPIMQU-UHFFFAOYSA-N
MW480.90 g/mol
LogP5.36
Rot. Bonds4

About N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide

N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide (PubChem CID 141166298) has the molecular formula C22H16ClF3N2O3S and a molecular weight of 480.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide
PubChem CID141166298
Molecular FormulaC22H16ClF3N2O3S
Molecular Weight480.90 g/mol
Exact Mass480.05
IUPAC NameN-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C22H16ClF3N2O3S/c23-17-4-2-5-18(13-17)27-21(29)15-8-7-14-9-10-28(20(14)11-15)32(30,31)19-6-1-3-16(12-19)22(24,25)26/h1-8,11-13H,9-10H2,(H,27,29)
InChIKeyKNVRFLCBOPIMQU-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.90
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
2-chloro-6-fluoro-N-[1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-6-yl]benzamide
CID 138454916
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide (CID 141166298) is N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is KNVRFLCBOPIMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O3S/c23-17-4-2-5-18(13-17)27-21(29)15-8-7-14-9-10-28(20(14)11-15)32(30,31)19-6-1-3-16(12-19)22(24,25)26/h1-8,11-13H,9-10H2,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide?
N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 480.90 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 141166298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).