N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide

C19H16FN3O4S — CID 31474763

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O4S/c1-13-6-7-15(21-19(24)14-8-10-23(25)11-9-14)12-18(13)28(26,27)22-17-5-3-2-4-16(17)20/h2-12,22H,1H3,(H,21,24)
InChIKeyGZRZPVSSWPEMRL-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.82
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 31474763) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID31474763
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O4S/c1-13-6-7-15(21-19(24)14-8-10-23(25)11-9-14)12-18(13)28(26,27)22-17-5-3-2-4-16(17)20/h2-12,22H,1H3,(H,21,24)
InChIKeyGZRZPVSSWPEMRL-UHFFFAOYSA-N
XLogP2.82
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
CID 4555053
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrothiophene-2-carboxamide
CID 31474760
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24648339
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide (CID 31474763) is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide is Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is GZRZPVSSWPEMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-13-6-7-15(21-19(24)14-8-10-23(25)11-9-14)12-18(13)28(26,27)22-17-5-3-2-4-16(17)20/h2-12,22H,1H3,(H,21,24).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 31474763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).