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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Related Compounds

3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
CID 62367470
4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 82898599
2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 112675017
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
CID 115992576
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
CID 78983698
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 112674906
3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655

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).