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

C15H13F3N2O4S — CID 70896464

IUPAC1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea
SMILESCOc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-13-7-6-11(25(22,23)14(17)18)8-12(13)20(15(19)21)10-4-2-9(16)3-5-10/h2-8,14H,1H3,(H2,19,21)
InChIKeySZAPRTGMLJQFII-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.05
Rot. Bonds5

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

1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea (PubChem CID 70896464) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea
PubChem CID70896464
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea
SMILESCOc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-13-7-6-11(25(22,23)14(17)18)8-12(13)20(15(19)21)10-4-2-9(16)3-5-10/h2-8,14H,1H3,(H2,19,21)
InChIKeySZAPRTGMLJQFII-UHFFFAOYSA-N
XLogP3.05
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(2-fluoro-4-methylphenyl)urea
CID 70293769
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
1-(2,5-dimethoxyphenyl)-1-[4-(7-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]urea
CID 70081833
(3,4-dimethoxyphenyl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9096959
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
1-(3-methoxynaphthalen-2-yl)-1-(4-methylphenyl)urea
CID 70896646
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 126277699
1-(5-tert-butyl-2-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 70896703
1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
CID 140970670
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2988323

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea (CID 70896464) is 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea is COc1ccc(S(=O)(=O)C(F)F)cc1N(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea?
The InChIKey is SZAPRTGMLJQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-24-13-7-6-11(25(22,23)14(17)18)8-12(13)20(15(19)21)10-4-2-9(16)3-5-10/h2-8,14H,1H3,(H2,19,21).
What are the key properties of 1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea?
1-[5-(difluoromethylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)urea has a molecular weight of 374.34 g/mol, XLogP of 3.05, 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-(4-fluorophenyl)urea is sourced from PubChem (CID 70896464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).