4-(1,4-dioxin-2-ylamino)benzenesulfonamide

C10H10N2O4S — CID 174855883

IUPAC4-(1,4-dioxin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2=COC=CO2)cc1
InChIInChI=1S/C10H10N2O4S/c11-17(13,14)9-3-1-8(2-4-9)12-10-7-15-5-6-16-10/h1-7,12H,(H2,11,13,14)
InChIKeyDRQQGXAPSQBPQY-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.06
Rot. Bonds3

About 4-(1,4-dioxin-2-ylamino)benzenesulfonamide

4-(1,4-dioxin-2-ylamino)benzenesulfonamide (PubChem CID 174855883) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-(1,4-dioxin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,4-dioxin-2-ylamino)benzenesulfonamide
PubChem CID174855883
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name4-(1,4-dioxin-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2=COC=CO2)cc1
InChIInChI=1S/C10H10N2O4S/c11-17(13,14)9-3-1-8(2-4-9)12-10-7-15-5-6-16-10/h1-7,12H,(H2,11,13,14)
InChIKeyDRQQGXAPSQBPQY-UHFFFAOYSA-N
XLogP1.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxin-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(1,4-dioxin-2-ylamino)benzenesulfonamide (CID 174855883) is 4-(1,4-dioxin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(1,4-dioxin-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(1,4-dioxin-2-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NC2=COC=CO2)cc1.
What is the InChIKey of 4-(1,4-dioxin-2-ylamino)benzenesulfonamide?
The InChIKey is DRQQGXAPSQBPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c11-17(13,14)9-3-1-8(2-4-9)12-10-7-15-5-6-16-10/h1-7,12H,(H2,11,13,14).
What are the key properties of 4-(1,4-dioxin-2-ylamino)benzenesulfonamide?
4-(1,4-dioxin-2-ylamino)benzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 174855883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).