6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C22H17ClN4O3S — CID 2965388

IUPAC6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30)
InChIKeyDVWVFMFLSZAVNP-UHFFFAOYSA-N
MW452.92 g/mol
LogP3.53
Rot. Bonds5

About 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 2965388) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID2965388
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30)
InChIKeyDVWVFMFLSZAVNP-UHFFFAOYSA-N
XLogP3.53
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Quinolinium, 6-chloro-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
CID 206452
N-(3,5-dichloropyridin-4-yl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865620
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
6-Chloro-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 2220933
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
CID 22663231
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-quinolin-7-ylethyl)benzamide
CID 71449439
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-benzylpyridine-3-carboxamide
CID 141754969
6-bromo-2-(pyridin-3-yl)-N-(4-sulfamoylbenzyl)quinoline-4-carboxamide
CID 1256976

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 2965388) is 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is DVWVFMFLSZAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-16-5-8-20-18(10-16)19(11-21(27-20)15-2-1-9-25-13-15)22(28)26-12-14-3-6-17(7-4-14)31(24,29)30/h1-11,13H,12H2,(H,26,28)(H2,24,29,30).
What are the key properties of 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 2965388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).