4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide

C18H14ClNO4S — CID 1087797

IUPAC4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO4S/c19-14-5-9-17(10-6-14)25(22,23)16-7-3-13(4-8-16)18(21)20-12-15-2-1-11-24-15/h1-11H,12H2,(H,20,21)
InChIKeyRDHXGYAWVUQLIF-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.70
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide

4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 1087797) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide
PubChem CID1087797
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO4S/c19-14-5-9-17(10-6-14)25(22,23)16-7-3-13(4-8-16)18(21)20-12-15-2-1-11-24-15/h1-11H,12H2,(H,20,21)
InChIKeyRDHXGYAWVUQLIF-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide (CID 1087797) is 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RDHXGYAWVUQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c19-14-5-9-17(10-6-14)25(22,23)16-7-3-13(4-8-16)18(21)20-12-15-2-1-11-24-15/h1-11H,12H2,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 375.83 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1087797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).