N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

C13H15FN4O3S — CID 16780731

IUPACN-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)NN)n(C)c1
InChIInChI=1S/C13H15FN4O3S/c1-8-5-9(14)3-4-11(8)17-22(20,21)10-6-12(13(19)16-15)18(2)7-10/h3-7,17H,15H2,1-2H3,(H,16,19)
InChIKeyQSWAQZVQEWTJOI-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.88
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 16780731) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
PubChem CID16780731
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)NN)n(C)c1
InChIInChI=1S/C13H15FN4O3S/c1-8-5-9(14)3-4-11(8)17-22(20,21)10-6-12(13(19)16-15)18(2)7-10/h3-7,17H,15H2,1-2H3,(H,16,19)
InChIKeyQSWAQZVQEWTJOI-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

N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780416
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (CID 16780731) is N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)NN)n(C)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is QSWAQZVQEWTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-8-5-9(14)3-4-11(8)17-22(20,21)10-6-12(13(19)16-15)18(2)7-10/h3-7,17H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
N-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 16780731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).