1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea

C15H14F2N2O4S — CID 2815191

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C15H14F2N2O4S/c1-10-2-8-13(9-3-10)24(21,22)19-15(20)18-11-4-6-12(7-5-11)23-14(16)17/h2-9,14H,1H3,(H2,18,19,20)
InChIKeyGTPJBRRKWSYSNI-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea

1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2815191) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2815191
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C15H14F2N2O4S/c1-10-2-8-13(9-3-10)24(21,22)19-15(20)18-11-4-6-12(7-5-11)23-14(16)17/h2-9,14H,1H3,(H2,18,19,20)
InChIKeyGTPJBRRKWSYSNI-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780576
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
T-900607
CID 9812416
5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-2H-imidazol-2-one
CID 2765977
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
N-(5-fluoro-2-methylphenyl)-N'-(4-methoxyphenyl)urea
CID 970666
1-(2,4-Dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 592766
1-(2-Ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 753422
4-[3-(4-Methoxy-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10665242
4-(3-(4-Methoxy-2-methylphenyl)ureido)benzenesulfonamide
CID 46860267
1-[4-(Trifluoromethoxy)phenyl]-3-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 90654049

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea (CID 2815191) is 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is GTPJBRRKWSYSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-10-2-8-13(9-3-10)24(21,22)19-15(20)18-11-4-6-12(7-5-11)23-14(16)17/h2-9,14H,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 356.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2815191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).