1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea

C16H15F3N2O4S — CID 70293769

IUPAC1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(C)cc1F
InChIInChI=1S/C16H15F3N2O4S/c1-9-3-5-12(11(17)7-9)21(16(20)22)13-8-10(4-6-14(13)25-2)26(23,24)15(18)19/h3-8,15H,1-2H3,(H2,20,22)
InChIKeyQQGBDYJKUYYHIK-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea

1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea (PubChem CID 70293769) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea
PubChem CID70293769
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea
SMILESCOc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(C)cc1F
InChIInChI=1S/C16H15F3N2O4S/c1-9-3-5-12(11(17)7-9)21(16(20)22)13-8-10(4-6-14(13)25-2)26(23,24)15(18)19/h3-8,15H,1-2H3,(H2,20,22)
InChIKeyQQGBDYJKUYYHIK-UHFFFAOYSA-N
XLogP3.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea
CID 70896464
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
(3,4-dimethoxyphenyl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9096959
2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
CID 78833008
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
N-(2,4-dimethylphenyl)-N-ethyl-3-fluoro-4-methoxybenzenesulfonamide
CID 94622875
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea (CID 70293769) is 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea is COc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(C)cc1F.
What is the InChIKey of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea?
The InChIKey is QQGBDYJKUYYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-9-3-5-12(11(17)7-9)21(16(20)22)13-8-10(4-6-14(13)25-2)26(23,24)15(18)19/h3-8,15H,1-2H3,(H2,20,22).
What are the key properties of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea?
1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea has a molecular weight of 388.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 70293769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).