N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H20ClNO4S — CID 90600092

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-18(23-2,14-4-3-5-15(19)11-14)12-20-25(21,22)16-6-7-17-13(10-16)8-9-24-17/h3-7,10-11,20H,8-9,12H2,1-2H3
InChIKeyGHQXBJNBBXQJIK-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 90600092) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID90600092
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-18(23-2,14-4-3-5-15(19)11-14)12-20-25(21,22)16-6-7-17-13(10-16)8-9-24-17/h3-7,10-11,20H,8-9,12H2,1-2H3
InChIKeyGHQXBJNBBXQJIK-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
CID 90600032
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90600008
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 90600092) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is COC(C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is GHQXBJNBBXQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-18(23-2,14-4-3-5-15(19)11-14)12-20-25(21,22)16-6-7-17-13(10-16)8-9-24-17/h3-7,10-11,20H,8-9,12H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 381.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 90600092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).