2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide

C18H20ClNO4S — CID 24629224

IUPAC2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1Cl)OC(C)C2
InChIInChI=1S/C18H20ClNO4S/c1-4-23-17-9-13-8-12(3)24-16(13)10-15(17)20-25(21,22)18-6-5-11(2)7-14(18)19/h5-7,9-10,12,20H,4,8H2,1-3H3
InChIKeyLXSWREKBVAFKKH-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.17
Rot. Bonds5

About 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide

2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide (PubChem CID 24629224) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
PubChem CID24629224
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1Cl)OC(C)C2
InChIInChI=1S/C18H20ClNO4S/c1-4-23-17-9-13-8-12(3)24-16(13)10-15(17)20-25(21,22)18-6-5-11(2)7-14(18)19/h5-7,9-10,12,20H,4,8H2,1-3H3
InChIKeyLXSWREKBVAFKKH-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 18109058
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 24541041
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
CID 25358782
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
CID 25358847
4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
3-cyano-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358778
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylbenzenesulfonamide
CID 9189966
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide (CID 24629224) is 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1Cl)OC(C)C2.
What is the InChIKey of 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is LXSWREKBVAFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-4-23-17-9-13-8-12(3)24-16(13)10-15(17)20-25(21,22)18-6-5-11(2)7-14(18)19/h5-7,9-10,12,20H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 24629224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).