N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide

C22H16ClN3O3S — CID 2405730

IUPACN'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H16ClN3O3S/c23-16-10-12-17(13-11-16)30(28,29)26-25-22(27)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14,26H,(H,25,27)
InChIKeyOQKSZOQJVJUAJV-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.18
Rot. Bonds5

About N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide

N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide (PubChem CID 2405730) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
PubChem CID2405730
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC NameN'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H16ClN3O3S/c23-16-10-12-17(13-11-16)30(28,29)26-25-22(27)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14,26H,(H,25,27)
InChIKeyOQKSZOQJVJUAJV-UHFFFAOYSA-N
XLogP4.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540352
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
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-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide (CID 2405730) is N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide?
The InChIKey is OQKSZOQJVJUAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-16-10-12-17(13-11-16)30(28,29)26-25-22(27)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14,26H,(H,25,27).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide?
N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide has a molecular weight of 437.91 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide is sourced from PubChem (CID 2405730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).