1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea

C16H16F2N2O3S — CID 47032733

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-11-2-4-12(5-3-11)10-19-16(21)20-13-6-8-14(9-7-13)24(22,23)15(17)18/h2-9,15H,10H2,1H3,(H2,19,20,21)
InChIKeyNNJRUKMIGQMWGO-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea

1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 47032733) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID47032733
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-11-2-4-12(5-3-11)10-19-16(21)20-13-6-8-14(9-7-13)24(22,23)15(17)18/h2-9,15H,10H2,1H3,(H2,19,20,21)
InChIKeyNNJRUKMIGQMWGO-UHFFFAOYSA-N
XLogP3.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]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

4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 47032733) is 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is NNJRUKMIGQMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-11-2-4-12(5-3-11)10-19-16(21)20-13-6-8-14(9-7-13)24(22,23)15(17)18/h2-9,15H,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 354.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47032733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).