3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide

C24H19ClN4O4S — CID 24540352

IUPAC3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H19ClN4O4S/c1-14-6-11-17(34(26,32)33)12-19(14)23(30)28-29-24(31)20-13-22(15-7-9-16(25)10-8-15)27-21-5-3-2-4-18(20)21/h2-13H,1H3,(H,28,30)(H,29,31)(H2,26,32,33)
InChIKeyGKYVZWNLFYZYFE-UHFFFAOYSA-N
MW494.96 g/mol
LogP3.59
Rot. Bonds4

About 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide

3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide (PubChem CID 24540352) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
PubChem CID24540352
Molecular FormulaC24H19ClN4O4S
Molecular Weight494.96 g/mol
Exact Mass494.08
IUPAC Name3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H19ClN4O4S/c1-14-6-11-17(34(26,32)33)12-19(14)23(30)28-29-24(31)20-13-22(15-7-9-16(25)10-8-15)27-21-5-3-2-4-18(20)21/h2-13H,1H3,(H,28,30)(H,29,31)(H2,26,32,33)
InChIKeyGKYVZWNLFYZYFE-UHFFFAOYSA-N
XLogP3.59
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
CID 2405730
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
2-(4-chlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 55369602
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide (CID 24540352) is 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide?
The InChIKey is GKYVZWNLFYZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c1-14-6-11-17(34(26,32)33)12-19(14)23(30)28-29-24(31)20-13-22(15-7-9-16(25)10-8-15)27-21-5-3-2-4-18(20)21/h2-13H,1H3,(H,28,30)(H,29,31)(H2,26,32,33).
What are the key properties of 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide?
3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide has a molecular weight of 494.96 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24540352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).