N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide

C22H16ClFN2OS — CID 4309234

IUPACN-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
SMILESCn1c(Sc2ccc(F)cc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H16ClFN2OS/c1-26-19-5-3-2-4-18(19)20(21(27)25-16-10-6-14(23)7-11-16)22(26)28-17-12-8-15(24)9-13-17/h2-13H,1H3,(H,25,27)
InChIKeyIVNNJQJNKUEISI-UHFFFAOYSA-N
MW410.90 g/mol
LogP6.37
Rot. Bonds4

About N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide

N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide (PubChem CID 4309234) has the molecular formula C22H16ClFN2OS and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
PubChem CID4309234
Molecular FormulaC22H16ClFN2OS
Molecular Weight410.90 g/mol
Exact Mass410.07
IUPAC NameN-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
SMILESCn1c(Sc2ccc(F)cc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H16ClFN2OS/c1-26-19-5-3-2-4-18(19)20(21(27)25-16-10-6-14(23)7-11-16)22(26)28-17-12-8-15(24)9-13-17/h2-13H,1H3,(H,25,27)
InChIKeyIVNNJQJNKUEISI-UHFFFAOYSA-N
XLogP6.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-N-(4-chlorophenyl)-1-methylindole-3-carboxamide
CID 5152634
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
CID 2766863
N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
CID 165018533
4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
2-[[1,6-dimethyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-1,6-dimethyl-N-phenylindole-3-carboxamide
CID 5328608
N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
CID 54684985
4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
CID 24895946

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide (CID 4309234) is N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide is Cn1c(Sc2ccc(F)cc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide?
The InChIKey is IVNNJQJNKUEISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2OS/c1-26-19-5-3-2-4-18(19)20(21(27)25-16-10-6-14(23)7-11-16)22(26)28-17-12-8-15(24)9-13-17/h2-13H,1H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide?
N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide is sourced from PubChem (CID 4309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).