N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide

C16H13ClN2O2S — CID 5053865

IUPACN-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-11-7-8-13(10-14(11)17)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3
InChIKeyVLMBZLJGYGLHME-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.00
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide

N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide (PubChem CID 5053865) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide
PubChem CID5053865
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H13ClN2O2S/c1-11-7-8-13(10-14(11)17)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3
InChIKeyVLMBZLJGYGLHME-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide (CID 5053865) is N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide?
The InChIKey is VLMBZLJGYGLHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-7-8-13(10-14(11)17)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide?
N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 5053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).