N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H13FN2O3S — CID 43604962

IUPACN-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H13FN2O3S/c15-12-3-1-10(16)8-13(12)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6,16H2
InChIKeyMVMPJZJBYCHDJM-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.14
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 43604962) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID43604962
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESNc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H13FN2O3S/c15-12-3-1-10(16)8-13(12)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6,16H2
InChIKeyMVMPJZJBYCHDJM-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 43604962) is N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Nc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MVMPJZJBYCHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-12-3-1-10(16)8-13(12)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6,16H2.
What are the key properties of N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 308.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 43604962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).