1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea

C14H14FN3O3S — CID 10758252

IUPAC1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10-5-7-13(8-6-10)22(20,21)18-17-14(19)16-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyXLEDZXITMZLIJW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea

1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea (PubChem CID 10758252) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
PubChem CID10758252
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10-5-7-13(8-6-10)22(20,21)18-17-14(19)16-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyXLEDZXITMZLIJW-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea 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

1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
1-(3-Fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]thiourea
CID 2725313
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
1-(Benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
CID 118710598
1-[(4-Fluorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710599
1-[(4-Methylphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710602
N-(2,5-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonyl]hydrazinecarboxamide
CID 24818642
2-[(2,4-dimethylphenyl)sulfonyl]-N-(2-fluorophenyl)hydrazinecarboxamide
CID 24818675

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea (CID 10758252) is 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea is Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The InChIKey is XLEDZXITMZLIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-10-5-7-13(8-6-10)22(20,21)18-17-14(19)16-12-4-2-3-11(15)9-12/h2-9,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea has a molecular weight of 323.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea is sourced from PubChem (CID 10758252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).