1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea

C14H13FN2O3S — CID 756661

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyYIYVUBGDHLQVPT-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea

1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 756661) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID756661
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyYIYVUBGDHLQVPT-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.64
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
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea (CID 756661) is 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is YIYVUBGDHLQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 308.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 756661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).