N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide

C19H21NO4S — CID 4074167

IUPACN-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-17-5-7-18(8-6-17)25(21,22)20(16-3-4-16)13-14-2-9-19-15(12-14)10-11-24-19/h2,5-9,12,16H,3-4,10-11,13H2,1H3
InChIKeyGHSUUSWPYDRBRH-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.98
Rot. Bonds6

About N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide

N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 4074167) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID4074167
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-17-5-7-18(8-6-17)25(21,22)20(16-3-4-16)13-14-2-9-19-15(12-14)10-11-24-19/h2,5-9,12,16H,3-4,10-11,13H2,1H3
InChIKeyGHSUUSWPYDRBRH-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide (CID 4074167) is N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CCO3)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is GHSUUSWPYDRBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-23-17-5-7-18(8-6-17)25(21,22)20(16-3-4-16)13-14-2-9-19-15(12-14)10-11-24-19/h2,5-9,12,16H,3-4,10-11,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide?
N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4074167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).