N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

C14H14ClN3O3S — CID 100657069

IUPACN-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C14H14ClN3O3S/c1-9-5-6-11(15)8-13(9)18-22(20,21)12-4-2-3-10(7-12)14(19)17-16/h2-8,18H,16H2,1H3,(H,17,19)
InChIKeyUSNZPFRDJSIZDJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.05
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 100657069) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID100657069
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C14H14ClN3O3S/c1-9-5-6-11(15)8-13(9)18-22(20,21)12-4-2-3-10(7-12)14(19)17-16/h2-8,18H,16H2,1H3,(H,17,19)
InChIKeyUSNZPFRDJSIZDJ-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (CID 100657069) is N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is USNZPFRDJSIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-9-5-6-11(15)8-13(9)18-22(20,21)12-4-2-3-10(7-12)14(19)17-16/h2-8,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 100657069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).