1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea

C14H12F2N2O3S — CID 3140522

IUPAC1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H12F2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyFAYUPQULOODNSS-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.78
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea

1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 3140522) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID3140522
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H12F2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyFAYUPQULOODNSS-UHFFFAOYSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-(2-Cyanophenyl)-3-(4-sulfamoylphenyl)urea
CID 2476733
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea (CID 3140522) is 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is FAYUPQULOODNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 326.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3140522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).