5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide

C16H13ClN2OS — CID 506849

IUPAC5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide
SMILESCc1ccccc1Sc1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2OS/c1-9-4-2-3-5-13(9)21-15-11-8-10(17)6-7-12(11)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyXGZDIGVLNBDOBP-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.38
Rot. Bonds3

About 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide

5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide (PubChem CID 506849) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide
PubChem CID506849
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide
SMILESCc1ccccc1Sc1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2OS/c1-9-4-2-3-5-13(9)21-15-11-8-10(17)6-7-12(11)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyXGZDIGVLNBDOBP-UHFFFAOYSA-N
XLogP4.38
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide (CID 506849) is 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide is Cc1ccccc1Sc1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide?
The InChIKey is XGZDIGVLNBDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-4-2-3-5-13(9)21-15-11-8-10(17)6-7-12(11)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide?
5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 506849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).