N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide

C13H14ClN3O2S — CID 66255534

IUPACN-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-7-5-10(16-15)6-8-11/h2-8,16-17H,15H2,1H3
InChIKeyLRMGULURKPWODW-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.73
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide

N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 66255534) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
PubChem CID66255534
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-7-5-10(16-15)6-8-11/h2-8,16-17H,15H2,1H3
InChIKeyLRMGULURKPWODW-UHFFFAOYSA-N
XLogP2.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-3-sulfonamide
CID 66255535
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide (CID 66255534) is N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is LRMGULURKPWODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-7-5-10(16-15)6-8-11/h2-8,16-17H,15H2,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide?
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 66255534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).