N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

C15H17N3O5S — CID 100657262

IUPACN-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H17N3O5S/c1-22-11-6-7-14(23-2)13(9-11)18-24(20,21)12-5-3-4-10(8-12)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeyFADXNFJUXUTCNU-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.11
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 100657262) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID100657262
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H17N3O5S/c1-22-11-6-7-14(23-2)13(9-11)18-24(20,21)12-5-3-4-10(8-12)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeyFADXNFJUXUTCNU-UHFFFAOYSA-N
XLogP1.11
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (CID 100657262) is N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is FADXNFJUXUTCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-22-11-6-7-14(23-2)13(9-11)18-24(20,21)12-5-3-4-10(8-12)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 100657262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).