1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea

C15H13ClN2O4S — CID 11501238

IUPAC1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13ClN2O4S/c16-11-1-3-12(4-2-11)17-15(19)18-23(20,21)13-5-6-14-10(9-13)7-8-22-14/h1-6,9H,7-8H2,(H2,17,18,19)
InChIKeyPETCZNAGAFHPDG-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea

1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea (PubChem CID 11501238) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
PubChem CID11501238
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13ClN2O4S/c16-11-1-3-12(4-2-11)17-15(19)18-23(20,21)13-5-6-14-10(9-13)7-8-22-14/h1-6,9H,7-8H2,(H2,17,18,19)
InChIKeyPETCZNAGAFHPDG-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea (CID 11501238) is 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea is O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea?
The InChIKey is PETCZNAGAFHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c16-11-1-3-12(4-2-11)17-15(19)18-23(20,21)13-5-6-14-10(9-13)7-8-22-14/h1-6,9H,7-8H2,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea?
1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea has a molecular weight of 352.80 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea is sourced from PubChem (CID 11501238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).