N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide

C17H15ClN2O2S — CID 162662446

IUPACN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide
SMILESCn1cc(S(=O)CC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H15ClN2O2S/c1-20-10-16(14-4-2-3-5-15(14)20)23(22)11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyJPXTZKHVBOJETE-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.58
Rot. Bonds4

About N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide

N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide (PubChem CID 162662446) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide
PubChem CID162662446
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide
SMILESCn1cc(S(=O)CC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H15ClN2O2S/c1-20-10-16(14-4-2-3-5-15(14)20)23(22)11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyJPXTZKHVBOJETE-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide (CID 162662446) is N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide is Cn1cc(S(=O)CC(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide?
The InChIKey is JPXTZKHVBOJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-20-10-16(14-4-2-3-5-15(14)20)23(22)11-17(21)19-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide?
N-(4-chlorophenyl)-2-(1-methylindol-3-yl)sulfinylacetamide has a molecular weight of 346.84 g/mol, XLogP of 3.58, 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-(1-methylindol-3-yl)sulfinylacetamide is sourced from PubChem (CID 162662446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).