N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide

C11H11FN4O3S — CID 16780201

IUPACN-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
SMILESNNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C11H11FN4O3S/c12-7-1-3-8(4-2-7)16-20(18,19)9-5-10(14-6-9)11(17)15-13/h1-6,14,16H,13H2,(H,15,17)
InChIKeyYRJZXDZJYYERPJ-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.56
Rot. Bonds4

About N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide

N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 16780201) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID16780201
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC NameN-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
SMILESNNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C11H11FN4O3S/c12-7-1-3-8(4-2-7)16-20(18,19)9-5-10(14-6-9)11(17)15-13/h1-6,14,16H,13H2,(H,15,17)
InChIKeyYRJZXDZJYYERPJ-UHFFFAOYSA-N
XLogP0.56
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.56
H-Bond Donors ≤ 54
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

4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
CID 16780083
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552084
ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide (CID 16780201) is N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide is NNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is YRJZXDZJYYERPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c12-7-1-3-8(4-2-7)16-20(18,19)9-5-10(14-6-9)11(17)15-13/h1-6,14,16H,13H2,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide?
N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 298.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 16780201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).