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

C16H13ClN2O3S — CID 4102570

IUPACN-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(10-13(14)17)19-23(20,21)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3
InChIKeyASNFBFORYNTSQC-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.70
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide (PubChem CID 4102570) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide
PubChem CID4102570
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(10-13(14)17)19-23(20,21)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3
InChIKeyASNFBFORYNTSQC-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide (CID 4102570) is N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide is COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide?
The InChIKey is ASNFBFORYNTSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(10-13(14)17)19-23(20,21)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide?
N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 4102570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).