4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C22H18ClN3O3S — CID 4871357

IUPAC4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3S/c23-19-7-9-20(10-8-19)30(28,29)26(14-16-4-3-11-24-13-16)15-18-12-17-5-1-2-6-21(17)25-22(18)27/h1-13H,14-15H2,(H,25,27)
InChIKeyNPMJXJQTDGWILP-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 4871357) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID4871357
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3S/c23-19-7-9-20(10-8-19)30(28,29)26(14-16-4-3-11-24-13-16)15-18-12-17-5-1-2-6-21(17)25-22(18)27/h1-13H,14-15H2,(H,25,27)
InChIKeyNPMJXJQTDGWILP-UHFFFAOYSA-N
XLogP3.97
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 4871357) is 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is NPMJXJQTDGWILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c23-19-7-9-20(10-8-19)30(28,29)26(14-16-4-3-11-24-13-16)15-18-12-17-5-1-2-6-21(17)25-22(18)27/h1-13H,14-15H2,(H,25,27).
What are the key properties of 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4871357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).