N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H11Cl2NO3S — CID 110344403

IUPACN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H11Cl2NO3S/c15-10-1-3-13(12(16)8-10)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6H2
InChIKeyHTPAEPPPOVVGJR-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.73
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 110344403) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID110344403
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC NameN-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H11Cl2NO3S/c15-10-1-3-13(12(16)8-10)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6H2
InChIKeyHTPAEPPPOVVGJR-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43604962
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 110344403) is N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HTPAEPPPOVVGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c15-10-1-3-13(12(16)8-10)17-21(18,19)11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,17H,5-6H2.
What are the key properties of N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 344.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 110344403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).