4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide

C9H13N3O3S — CID 5051755

IUPAC4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyCDZVKMSWTZLDSB-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.46
Rot. Bonds3

About 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide

4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 5051755) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID5051755
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyCDZVKMSWTZLDSB-UHFFFAOYSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
4-(Aminosulfonyl)benzamide
CID 80563
N-methyl-4-sulfamoylbenzamide
CID 4093508
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
n-Propyl-4-sulfamoylbenzamide
CID 226552
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
N-Ethyl 4-sulfamylbenzamide
CID 10242881
N-{[(benzenesulfonyl)carbamoyl]amino}-2-sulfamoylbenzamide
CID 11188711
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide (CID 5051755) is 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is CDZVKMSWTZLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13).
What are the key properties of 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 243.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 5051755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).