4-(2-phenylsulfanylacetyl)benzenesulfonamide

C14H13NO3S2 — CID 59053249

IUPAC4-(2-phenylsulfanylacetyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)CSc2ccccc2)cc1
InChIInChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)
InChIKeyPCPCFQQVMJBHMX-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.31
Rot. Bonds5

About 4-(2-phenylsulfanylacetyl)benzenesulfonamide

4-(2-phenylsulfanylacetyl)benzenesulfonamide (PubChem CID 59053249) has the molecular formula C14H13NO3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(2-phenylsulfanylacetyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylsulfanylacetyl)benzenesulfonamide
PubChem CID59053249
Molecular FormulaC14H13NO3S2
Molecular Weight307.40 g/mol
Exact Mass307.03
IUPAC Name4-(2-phenylsulfanylacetyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)CSc2ccccc2)cc1
InChIInChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18)
InChIKeyPCPCFQQVMJBHMX-UHFFFAOYSA-N
XLogP2.31
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylsulfanylacetyl)benzenesulfonamide?
The IUPAC name of 4-(2-phenylsulfanylacetyl)benzenesulfonamide (CID 59053249) is 4-(2-phenylsulfanylacetyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylsulfanylacetyl)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylsulfanylacetyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)CSc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylsulfanylacetyl)benzenesulfonamide?
The InChIKey is PCPCFQQVMJBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S2/c15-20(17,18)13-8-6-11(7-9-13)14(16)10-19-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,17,18).
What are the key properties of 4-(2-phenylsulfanylacetyl)benzenesulfonamide?
4-(2-phenylsulfanylacetyl)benzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylsulfanylacetyl)benzenesulfonamide is sourced from PubChem (CID 59053249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).