1-(4-methylphenyl)sulfonyl-3-phenylurea

C14H14N2O3S — CID 847415

IUPAC1-(4-methylphenyl)sulfonyl-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyBBQLCKFJEDETJU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenylurea

1-(4-methylphenyl)sulfonyl-3-phenylurea (PubChem CID 847415) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenylurea
PubChem CID847415
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyBBQLCKFJEDETJU-UHFFFAOYSA-N
XLogP2.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylurea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylurea (CID 847415) is 1-(4-methylphenyl)sulfonyl-3-phenylurea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenylurea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenylurea?
The InChIKey is BBQLCKFJEDETJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenylurea?
1-(4-methylphenyl)sulfonyl-3-phenylurea has a molecular weight of 290.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenylurea is sourced from PubChem (CID 847415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).