2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide

C14H15N3O3S — CID 115992767

IUPAC2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
SMILESNc1c(NC2COc3ccccc32)cccc1S(N)(=O)=O
InChIInChI=1S/C14H15N3O3S/c15-14-10(5-3-7-13(14)21(16,18)19)17-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,17H,8,15H2,(H2,16,18,19)
InChIKeyNYMDYOHYKTULJN-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide

2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide (PubChem CID 115992767) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
PubChem CID115992767
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
SMILESNc1c(NC2COc3ccccc32)cccc1S(N)(=O)=O
InChIInChI=1S/C14H15N3O3S/c15-14-10(5-3-7-13(14)21(16,18)19)17-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,17H,8,15H2,(H2,16,18,19)
InChIKeyNYMDYOHYKTULJN-UHFFFAOYSA-N
XLogP1.46
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide (CID 115992767) is 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide is Nc1c(NC2COc3ccccc32)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The InChIKey is NYMDYOHYKTULJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14-10(5-3-7-13(14)21(16,18)19)17-11-8-20-12-6-2-1-4-9(11)12/h1-7,11,17H,8,15H2,(H2,16,18,19).
What are the key properties of 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 115992767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).