3-(oxolan-3-ylamino)benzenesulfonamide

C10H14N2O3S — CID 63331778

IUPAC3-(oxolan-3-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NC2CCOC2)c1
InChIInChI=1S/C10H14N2O3S/c11-16(13,14)10-3-1-2-8(6-10)12-9-4-5-15-7-9/h1-3,6,9,12H,4-5,7H2,(H2,11,13,14)
InChIKeySVQYSSLPSFEPQE-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.53
Rot. Bonds3

About 3-(oxolan-3-ylamino)benzenesulfonamide

3-(oxolan-3-ylamino)benzenesulfonamide (PubChem CID 63331778) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(oxolan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(oxolan-3-ylamino)benzenesulfonamide
PubChem CID63331778
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(oxolan-3-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NC2CCOC2)c1
InChIInChI=1S/C10H14N2O3S/c11-16(13,14)10-3-1-2-8(6-10)12-9-4-5-15-7-9/h1-3,6,9,12H,4-5,7H2,(H2,11,13,14)
InChIKeySVQYSSLPSFEPQE-UHFFFAOYSA-N
XLogP0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylamino)benzenesulfonamide?
The IUPAC name of 3-(oxolan-3-ylamino)benzenesulfonamide (CID 63331778) is 3-(oxolan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-(oxolan-3-ylamino)benzenesulfonamide?
The canonical SMILES for 3-(oxolan-3-ylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(NC2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-ylamino)benzenesulfonamide?
The InChIKey is SVQYSSLPSFEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-16(13,14)10-3-1-2-8(6-10)12-9-4-5-15-7-9/h1-3,6,9,12H,4-5,7H2,(H2,11,13,14).
What are the key properties of 3-(oxolan-3-ylamino)benzenesulfonamide?
3-(oxolan-3-ylamino)benzenesulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 63331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).