4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide

C14H16N2O3S — CID 115465939

IUPAC4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C14H16N2O3S/c15-20(17,18)11-6-4-10(5-7-11)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2,(H2,15,17,18)
InChIKeySGVVTQQDVKNEKV-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.42
Rot. Bonds3

About 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide (PubChem CID 115465939) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
PubChem CID115465939
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C14H16N2O3S/c15-20(17,18)11-6-4-10(5-7-11)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2,(H2,15,17,18)
InChIKeySGVVTQQDVKNEKV-UHFFFAOYSA-N
XLogP2.42
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide (CID 115465939) is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCc3occc32)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide?
The InChIKey is SGVVTQQDVKNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-20(17,18)11-6-4-10(5-7-11)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2,(H2,15,17,18).
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide?
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 115465939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).