5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide

C22H16Cl2N2OS — CID 146173983

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide
SMILESNC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2OS/c23-15-8-6-14(7-9-15)13-26-19-11-10-16(24)12-18(19)21(20(26)22(25)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H2,25,27)
InChIKeyYSLUFWVDWGLTEX-UHFFFAOYSA-N
MW427.36 g/mol
LogP6.25
Rot. Bonds5

About 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide

5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide (PubChem CID 146173983) has the molecular formula C22H16Cl2N2OS and a molecular weight of 427.36 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide
PubChem CID146173983
Molecular FormulaC22H16Cl2N2OS
Molecular Weight427.36 g/mol
Exact Mass426.04
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide
SMILESNC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2OS/c23-15-8-6-14(7-9-15)13-26-19-11-10-16(24)12-18(19)21(20(26)22(25)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H2,25,27)
InChIKeyYSLUFWVDWGLTEX-UHFFFAOYSA-N
XLogP6.25
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.36
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;ethyl 5-chloro-1-[(4-methylphenyl)methyl]-3-phenylsulfanylindole-2-carboxylate;ethyl 5-chloro-3-phenylsulfanyl-1H-indole-2-carboxylate;methane
CID 160926042
1-benzyl-3-(3-bromophenyl)sulfanyl-6-chloroindole-2-carboxylic acid
CID 66765609
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67247506
3,5-dichloro-N-(diaminomethylidene)-1-(pyridin-4-ylmethyl)indole-2-carboxamide;dihydrochloride
CID 22362579
3-[(benzylamino)methyl]-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 53207248
bis[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylmethoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158744648
1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylic acid
CID 19914749
3-(4-chlorophenyl)sulfanyl-1,5-dimethylindole-2-carboxylic acid
CID 71625032
6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 134224175
3-[1-benzyl-6-chloro-2-(trifluoromethyl)indol-3-yl]sulfanylbenzoic acid
CID 56840212
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide (CID 146173983) is 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide is NC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide?
The InChIKey is YSLUFWVDWGLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2OS/c23-15-8-6-14(7-9-15)13-26-19-11-10-16(24)12-18(19)21(20(26)22(25)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H2,25,27).
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide?
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide has a molecular weight of 427.36 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxamide is sourced from PubChem (CID 146173983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).