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

C14H15N3O3S — CID 82898599

IUPAC4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NC1COc2ccccc21
InChIInChI=1S/C14H15N3O3S/c15-11-6-5-9(21(16,18)19)7-12(11)17-13-8-20-14-4-2-1-3-10(13)14/h1-7,13,17H,8,15H2,(H2,16,18,19)
InChIKeyHZFYQHIWQOWIQV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.46
Rot. Bonds3

About 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide

4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide (PubChem CID 82898599) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
PubChem CID82898599
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NC1COc2ccccc21
InChIInChI=1S/C14H15N3O3S/c15-11-6-5-9(21(16,18)19)7-12(11)17-13-8-20-14-4-2-1-3-10(13)14/h1-7,13,17H,8,15H2,(H2,16,18,19)
InChIKeyHZFYQHIWQOWIQV-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

2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 115992767
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
CID 82907020
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
CID 107490352
4-amino-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 82907239
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
2-(3,4-dihydro-2H-chromen-4-ylamino)benzenesulfonamide
CID 62367470
4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
CID 43745883
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553163

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide (CID 82898599) is 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NC1COc2ccccc21.
What is the InChIKey of 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
The InChIKey is HZFYQHIWQOWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-11-6-5-9(21(16,18)19)7-12(11)17-13-8-20-14-4-2-1-3-10(13)14/h1-7,13,17H,8,15H2,(H2,16,18,19).
What are the key properties of 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide?
4-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 4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 82898599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).