5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide

C13H16N4O3S — CID 16780127

IUPAC5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)cc1
InChIInChI=1S/C13H16N4O3S/c1-9-3-5-10(6-4-9)16-21(19,20)11-7-12(13(18)15-14)17(2)8-11/h3-8,16H,14H2,1-2H3,(H,15,18)
InChIKeyCUORPJJPDRKJQB-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.74
Rot. Bonds4

About 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide

5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide (PubChem CID 16780127) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
PubChem CID16780127
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)cc1
InChIInChI=1S/C13H16N4O3S/c1-9-3-5-10(6-4-9)16-21(19,20)11-7-12(13(18)15-14)17(2)8-11/h3-8,16H,14H2,1-2H3,(H,15,18)
InChIKeyCUORPJJPDRKJQB-UHFFFAOYSA-N
XLogP0.74
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.74
H-Bond Donors ≤ 53
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

1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 39992768
N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780416
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 37263793
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126803379
N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 29374337
4-[(2-bromo-5-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 82711529

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide (CID 16780127) is 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)cc1.
What is the InChIKey of 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The InChIKey is CUORPJJPDRKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9-3-5-10(6-4-9)16-21(19,20)11-7-12(13(18)15-14)17(2)8-11/h3-8,16H,14H2,1-2H3,(H,15,18).
What are the key properties of 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 16780127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).