1-benzylsulfonyl-3-phenylurea

C14H14N2O3S — CID 22715536

IUPAC1-benzylsulfonyl-3-phenylurea
SMILESO=C(Nc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-14(15-13-9-5-2-6-10-13)16-20(18,19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKeyOZTUPCBWSVQSLV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.34
Rot. Bonds4

About 1-benzylsulfonyl-3-phenylurea

1-benzylsulfonyl-3-phenylurea (PubChem CID 22715536) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-phenylurea.

Molecular Properties

Compound Name1-benzylsulfonyl-3-phenylurea
PubChem CID22715536
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name1-benzylsulfonyl-3-phenylurea
SMILESO=C(Nc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3S/c17-14(15-13-9-5-2-6-10-13)16-20(18,19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKeyOZTUPCBWSVQSLV-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-phenylurea?
The IUPAC name of 1-benzylsulfonyl-3-phenylurea (CID 22715536) is 1-benzylsulfonyl-3-phenylurea.
What is the SMILES notation for 1-benzylsulfonyl-3-phenylurea?
The canonical SMILES for 1-benzylsulfonyl-3-phenylurea is O=C(Nc1ccccc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-3-phenylurea?
The InChIKey is OZTUPCBWSVQSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-14(15-13-9-5-2-6-10-13)16-20(18,19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17).
What are the key properties of 1-benzylsulfonyl-3-phenylurea?
1-benzylsulfonyl-3-phenylurea has a molecular weight of 290.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-phenylurea is sourced from PubChem (CID 22715536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).