4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide

C17H14ClN3O3S — CID 11394750

IUPAC4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyRLLHYOFPZIGEEP-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.13
Rot. Bonds4

About 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide

4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11394750) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11394750
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21)
InChIKeyRLLHYOFPZIGEEP-UHFFFAOYSA-N
XLogP3.13
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11394750) is 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide is CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is RLLHYOFPZIGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide?
4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11394750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).