4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide

C10H10O4S2 — CID 4575936

IUPAC4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLTSCPMPPJDLHBP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds2

About 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide

4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 4575936) has the molecular formula C10H10O4S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID4575936
Molecular FormulaC10H10O4S2
Molecular Weight258.32 g/mol
Exact Mass258.00
IUPAC Name4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLTSCPMPPJDLHBP-UHFFFAOYSA-N
XLogP1.12
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide (CID 4575936) is 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=C(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is LTSCPMPPJDLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide?
4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 258.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 4575936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).