N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide

C20H16Cl3N3O3S — CID 59508547

IUPACN-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H16Cl3N3O3S/c1-12-6-7-18(24-25-20(27)13-9-14(21)11-15(22)10-13)19(8-12)30(28,29)26-17-5-3-2-4-16(17)23/h2-11,24,26H,1H3,(H,25,27)
InChIKeyYZECFXUIBNABJR-UHFFFAOYSA-N
MW484.79 g/mol
LogP5.51
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide

N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide (PubChem CID 59508547) has the molecular formula C20H16Cl3N3O3S and a molecular weight of 484.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide
PubChem CID59508547
Molecular FormulaC20H16Cl3N3O3S
Molecular Weight484.79 g/mol
Exact Mass483.00
IUPAC NameN-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H16Cl3N3O3S/c1-12-6-7-18(24-25-20(27)13-9-14(21)11-15(22)10-13)19(8-12)30(28,29)26-17-5-3-2-4-16(17)23/h2-11,24,26H,1H3,(H,25,27)
InChIKeyYZECFXUIBNABJR-UHFFFAOYSA-N
XLogP5.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.79
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
1-[2-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(3,4-dimethylphenyl)thiourea
CID 25042507
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
3,5-dichloro-N'-(2-methoxyphenyl)benzohydrazide
CID 20661682
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 27569068
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
CID 24819123
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide (CID 59508547) is N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide is Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide?
The InChIKey is YZECFXUIBNABJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O3S/c1-12-6-7-18(24-25-20(27)13-9-14(21)11-15(22)10-13)19(8-12)30(28,29)26-17-5-3-2-4-16(17)23/h2-11,24,26H,1H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide?
N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide has a molecular weight of 484.79 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(3,5-dichlorobenzoyl)hydrazinyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 59508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).