5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide

C20H18ClFN2O3S — CID 66747080

IUPAC5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C20H18ClFN2O3S/c21-17-9-12(1-2-18(17)22)13-7-14-16(11-3-5-28(26,27)6-4-11)10-24-19(14)15(8-13)20(23)25/h1-2,7-11,24H,3-6H2,(H2,23,25)
InChIKeyFGLGRKTVZZZSMX-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.02
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide

5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide (PubChem CID 66747080) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
PubChem CID66747080
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C20H18ClFN2O3S/c21-17-9-12(1-2-18(17)22)13-7-14-16(11-3-5-28(26,27)6-4-11)10-24-19(14)15(8-13)20(23)25/h1-2,7-11,24H,3-6H2,(H2,23,25)
InChIKeyFGLGRKTVZZZSMX-UHFFFAOYSA-N
XLogP4.02
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746457
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755
5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66746096
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
3-(1,1-dihydroxythian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746456
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 59332691
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
3-[(4S)-1,1-dihydroxy-2,2-dimethylthian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 66745950

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide (CID 66747080) is 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccc(F)c(Cl)c2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The InChIKey is FGLGRKTVZZZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c21-17-9-12(1-2-18(17)22)13-7-14-16(11-3-5-28(26,27)6-4-11)10-24-19(14)15(8-13)20(23)25/h1-2,7-11,24H,3-6H2,(H2,23,25).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide has a molecular weight of 420.89 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66747080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).