4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide

C13H14N4O3S — CID 62237100

IUPAC4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
SMILESNNc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H14N4O3S/c14-17-10-6-4-9(5-7-10)13(18)16-11-2-1-3-12(8-11)21(15,19)20/h1-8,17H,14H2,(H,16,18)(H2,15,19,20)
InChIKeyIFXCDMLZJFYCQY-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.87
Rot. Bonds4

About 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide

4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide (PubChem CID 62237100) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
PubChem CID62237100
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
SMILESNNc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H14N4O3S/c14-17-10-6-4-9(5-7-10)13(18)16-11-2-1-3-12(8-11)21(15,19)20/h1-8,17H,14H2,(H,16,18)(H2,15,19,20)
InChIKeyIFXCDMLZJFYCQY-UHFFFAOYSA-N
XLogP0.87
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.87
H-Bond Donors ≤ 54
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-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 175329442
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
CID 154762615
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide (CID 62237100) is 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide is NNc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is IFXCDMLZJFYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-17-10-6-4-9(5-7-10)13(18)16-11-2-1-3-12(8-11)21(15,19)20/h1-8,17H,14H2,(H,16,18)(H2,15,19,20).
What are the key properties of 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide?
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 306.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 62237100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).