2-sulfonyl-3H-1-benzofuran-7-amine

C8H7NO3S — CID 170944221

IUPAC2-sulfonyl-3H-1-benzofuran-7-amine
SMILESNc1cccc2c1OC(=S(=O)=O)C2
InChIInChI=1S/C8H7NO3S/c9-6-3-1-2-5-4-7(13(10)11)12-8(5)6/h1-3H,4,9H2
InChIKeyXVANPQCFNVQAKI-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.21
Rot. Bonds

About 2-sulfonyl-3H-1-benzofuran-7-amine

2-sulfonyl-3H-1-benzofuran-7-amine (PubChem CID 170944221) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-sulfonyl-3H-1-benzofuran-7-amine.

Molecular Properties

Compound Name2-sulfonyl-3H-1-benzofuran-7-amine
PubChem CID170944221
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name2-sulfonyl-3H-1-benzofuran-7-amine
SMILESNc1cccc2c1OC(=S(=O)=O)C2
InChIInChI=1S/C8H7NO3S/c9-6-3-1-2-5-4-7(13(10)11)12-8(5)6/h1-3H,4,9H2
InChIKeyXVANPQCFNVQAKI-UHFFFAOYSA-N
XLogP0.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-xanthene-3,5-diamine
CID 70452318
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
5-bromo-9H-xanthen-1-amine
CID 121395014
9H-xanthene-4,5-dicarboxamide
CID 162768624
9H-xanthen-1-amine;hydrochloride
CID 175135192
9-amino-4,5-dihydro-1,4-benzoxazepin-3-one;ethane
CID 145093037
7-amino-3H-2-benzofuran-1-one
CID 10909726
9H-xanthene-3,4-diamine
CID 174775292
3H-indol-7-amine
CID 147992878
8-amino-2,4-dihydro-1H-isoquinolin-3-one
CID 124925857
3-N,3-N-dimethyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 105446305
10-amino-N-(diaminomethylidene)-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide
CID 11660241

Frequently Asked Questions

What is the IUPAC name of 2-sulfonyl-3H-1-benzofuran-7-amine?
The IUPAC name of 2-sulfonyl-3H-1-benzofuran-7-amine (CID 170944221) is 2-sulfonyl-3H-1-benzofuran-7-amine.
What is the SMILES notation for 2-sulfonyl-3H-1-benzofuran-7-amine?
The canonical SMILES for 2-sulfonyl-3H-1-benzofuran-7-amine is Nc1cccc2c1OC(=S(=O)=O)C2.
What is the InChIKey of 2-sulfonyl-3H-1-benzofuran-7-amine?
The InChIKey is XVANPQCFNVQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c9-6-3-1-2-5-4-7(13(10)11)12-8(5)6/h1-3H,4,9H2.
What are the key properties of 2-sulfonyl-3H-1-benzofuran-7-amine?
2-sulfonyl-3H-1-benzofuran-7-amine has a molecular weight of 197.22 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonyl-3H-1-benzofuran-7-amine is sourced from PubChem (CID 170944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).