5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide

C12H14N4O3S — CID 16779931

IUPAC5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C12H14N4O3S/c1-16(9-5-3-2-4-6-9)20(18,19)10-7-11(14-8-10)12(17)15-13/h2-8,14H,13H2,1H3,(H,15,17)
InChIKeyRBKSHDGFMSSGFA-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.44
Rot. Bonds4

About 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide

5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide (PubChem CID 16779931) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide
PubChem CID16779931
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C12H14N4O3S/c1-16(9-5-3-2-4-6-9)20(18,19)10-7-11(14-8-10)12(17)15-13/h2-8,14H,13H2,1H3,(H,15,17)
InChIKeyRBKSHDGFMSSGFA-UHFFFAOYSA-N
XLogP0.44
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
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

5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236
4-[(4-cyanophenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62981433
4-[methyl-[(2-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43578503
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
methyl 4-[(3,4-dimethylphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938588
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide (CID 16779931) is 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)NN)c1.
What is the InChIKey of 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide?
The InChIKey is RBKSHDGFMSSGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16(9-5-3-2-4-6-9)20(18,19)10-7-11(14-8-10)12(17)15-13/h2-8,14H,13H2,1H3,(H,15,17).
What are the key properties of 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide?
5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-N-methyl-N-phenyl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 16779931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).