N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

C13H15FN4O3S — CID 16779951

IUPACN-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)c1
InChIInChI=1S/C13H15FN4O3S/c1-8-3-4-10(14)11(5-8)17-22(20,21)9-6-12(13(19)16-15)18(2)7-9/h3-7,17H,15H2,1-2H3,(H,16,19)
InChIKeyOBISGTURZWVJAI-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.88
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 16779951) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
PubChem CID16779951
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC NameN-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)c1
InChIInChI=1S/C13H15FN4O3S/c1-8-3-4-10(14)11(5-8)17-22(20,21)9-6-12(13(19)16-15)18(2)7-9/h3-7,17H,15H2,1-2H3,(H,16,19)
InChIKeyOBISGTURZWVJAI-UHFFFAOYSA-N
XLogP0.88
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.88
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

5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731
4-[(2-bromo-5-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 82711529
N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780416
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (CID 16779951) is N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is OBISGTURZWVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-8-3-4-10(14)11(5-8)17-22(20,21)9-6-12(13(19)16-15)18(2)7-9/h3-7,17H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 326.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 16779951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).