N-(hydrazinecarbonyl)-4-sulfamoylbenzamide

C8H10N4O4S — CID 91621577

IUPACN-(hydrazinecarbonyl)-4-sulfamoylbenzamide
SMILESNNC(=O)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10N4O4S/c9-12-8(14)11-7(13)5-1-3-6(4-2-5)17(10,15)16/h1-4H,9H2,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyBTLILINSQZOXRJ-UHFFFAOYSA-N
MW258.26 g/mol
LogP-1.35
Rot. Bonds2

About N-(hydrazinecarbonyl)-4-sulfamoylbenzamide

N-(hydrazinecarbonyl)-4-sulfamoylbenzamide (PubChem CID 91621577) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is N-(hydrazinecarbonyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(hydrazinecarbonyl)-4-sulfamoylbenzamide
PubChem CID91621577
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC NameN-(hydrazinecarbonyl)-4-sulfamoylbenzamide
SMILESNNC(=O)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H10N4O4S/c9-12-8(14)11-7(13)5-1-3-6(4-2-5)17(10,15)16/h1-4H,9H2,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyBTLILINSQZOXRJ-UHFFFAOYSA-N
XLogP-1.35
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
4-sulfamoylbenzoyl iodide
CID 88945846
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
potassium 4-sulfamoylbenzoate
CID 23684074
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
4-methylsulfonylbenzohydrazide
CID 11042107
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
aminourea;4-methylbenzenesulfonamide
CID 174801132

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinecarbonyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(hydrazinecarbonyl)-4-sulfamoylbenzamide (CID 91621577) is N-(hydrazinecarbonyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(hydrazinecarbonyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(hydrazinecarbonyl)-4-sulfamoylbenzamide is NNC(=O)NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(hydrazinecarbonyl)-4-sulfamoylbenzamide?
The InChIKey is BTLILINSQZOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4S/c9-12-8(14)11-7(13)5-1-3-6(4-2-5)17(10,15)16/h1-4H,9H2,(H2,10,15,16)(H2,11,12,13,14).
What are the key properties of N-(hydrazinecarbonyl)-4-sulfamoylbenzamide?
N-(hydrazinecarbonyl)-4-sulfamoylbenzamide has a molecular weight of 258.26 g/mol, XLogP of -1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinecarbonyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 91621577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).