4-(2-hydroxyethylsulfanyl)benzenesulfonamide

C8H11NO3S2 — CID 4269754

IUPAC4-(2-hydroxyethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
InChIKeyLTXDVFFEVZJDGT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.42
Rot. Bonds4

About 4-(2-hydroxyethylsulfanyl)benzenesulfonamide

4-(2-hydroxyethylsulfanyl)benzenesulfonamide (PubChem CID 4269754) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)benzenesulfonamide
PubChem CID4269754
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name4-(2-hydroxyethylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCO)cc1
InChIInChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
InChIKeyLTXDVFFEVZJDGT-UHFFFAOYSA-N
XLogP0.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)benzenesulfonamide (CID 4269754) is 4-(2-hydroxyethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)benzenesulfonamide is NS(=O)(=O)c1ccc(SCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)benzenesulfonamide?
The InChIKey is LTXDVFFEVZJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12).
What are the key properties of 4-(2-hydroxyethylsulfanyl)benzenesulfonamide?
4-(2-hydroxyethylsulfanyl)benzenesulfonamide has a molecular weight of 233.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 4269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).