2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide

C23H18ClN3O3S — CID 60610827

IUPAC2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C23H18ClN3O3S/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)27-22)23(28)26-18-5-3-4-15(12-18)14-31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyCWIZBUIJNMOJDA-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide (PubChem CID 60610827) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
PubChem CID60610827
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C23H18ClN3O3S/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)27-22)23(28)26-18-5-3-4-15(12-18)14-31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30)
InChIKeyCWIZBUIJNMOJDA-UHFFFAOYSA-N
XLogP4.60
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide (CID 60610827) is 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide is NS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is CWIZBUIJNMOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)27-22)23(28)26-18-5-3-4-15(12-18)14-31(25,29)30/h1-13H,14H2,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 60610827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).