4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide

C17H13ClN2O3S2 — CID 44564811

IUPAC4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
InChIKeyLAFRWDGNIQZEFF-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.54
Rot. Bonds4

About 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide

4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 44564811) has the molecular formula C17H13ClN2O3S2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID44564811
Molecular FormulaC17H13ClN2O3S2
Molecular Weight392.89 g/mol
Exact Mass392.01
IUPAC Name4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21)
InChIKeyLAFRWDGNIQZEFF-UHFFFAOYSA-N
XLogP3.54
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide (CID 44564811) is 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide is CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is LAFRWDGNIQZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-5-6-15-13(8-12)16(14(9-20-15)17(19)21)24-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,21).
What are the key properties of 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide?
4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfanyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 44564811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).