N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide

C13H14ClN3O3S — CID 43454822

IUPACN-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1Cl
InChIInChI=1S/C13H14ClN3O3S/c1-20-13-7-4-10(8-12(13)14)17-21(18,19)11-5-2-9(16-15)3-6-11/h2-8,16-17H,15H2,1H3
InChIKeyQFIVHTQSOAMQAK-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.43
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 43454822) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
PubChem CID43454822
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1Cl
InChIInChI=1S/C13H14ClN3O3S/c1-20-13-7-4-10(8-12(13)14)17-21(18,19)11-5-2-9(16-15)3-6-11/h2-8,16-17H,15H2,1H3
InChIKeyQFIVHTQSOAMQAK-UHFFFAOYSA-N
XLogP2.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide (CID 43454822) is N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is QFIVHTQSOAMQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-20-13-7-4-10(8-12(13)14)17-21(18,19)11-5-2-9(16-15)3-6-11/h2-8,16-17H,15H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43454822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).