2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C25H17ClN4O3S2 — CID 1220561

IUPAC2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H17ClN4O3S2/c26-21-7-3-1-6-19(21)23-15-20(18-5-2-4-8-22(18)29-23)24(31)28-16-9-11-17(12-10-16)35(32,33)30-25-27-13-14-34-25/h1-15H,(H,27,30)(H,28,31)
InChIKeyCRRSMOUXKQJZPV-UHFFFAOYSA-N
MW521.02 g/mol
LogP6.06
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 1220561) has the molecular formula C25H17ClN4O3S2 and a molecular weight of 521.02 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID1220561
Molecular FormulaC25H17ClN4O3S2
Molecular Weight521.02 g/mol
Exact Mass520.04
IUPAC Name2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H17ClN4O3S2/c26-21-7-3-1-6-19(21)23-15-20(18-5-2-4-8-22(18)29-23)24(31)28-16-9-11-17(12-10-16)35(32,33)30-25-27-13-14-34-25/h1-15H,(H,27,30)(H,28,31)
InChIKeyCRRSMOUXKQJZPV-UHFFFAOYSA-N
XLogP6.06
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999
N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2965579
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-[4-(acetylsulfamoyl)phenyl]-6-methyl-2-phenylquinoline-4-carboxamide;2-(5-methylfuran-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide;N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 158454080
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4575874
1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 43995915
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 1220561) is 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is CRRSMOUXKQJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O3S2/c26-21-7-3-1-6-19(21)23-15-20(18-5-2-4-8-22(18)29-23)24(31)28-16-9-11-17(12-10-16)35(32,33)30-25-27-13-14-34-25/h1-15H,(H,27,30)(H,28,31).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 521.02 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 1220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).