N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide

C17H16ClNO5S — CID 113199869

IUPACN-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)cc1Cl
InChIInChI=1S/C17H16ClNO5S/c1-22-14-3-2-11(9-13(14)18)19-25(20,21)17-12-5-7-23-15(12)8-10-4-6-24-16(10)17/h2-3,8-9,19H,4-7H2,1H3
InChIKeyKTARTTGHWFJXBU-UHFFFAOYSA-N
MW381.84 g/mol
LogP3.02
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide

N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (PubChem CID 113199869) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
PubChem CID113199869
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)cc1Cl
InChIInChI=1S/C17H16ClNO5S/c1-22-14-3-2-11(9-13(14)18)19-25(20,21)17-12-5-7-23-15(12)8-10-4-6-24-16(10)17/h2-3,8-9,19H,4-7H2,1H3
InChIKeyKTARTTGHWFJXBU-UHFFFAOYSA-N
XLogP3.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide with MolForge

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Related Compounds

N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199914
N-(2-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199858
4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095488
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199794
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879659
N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
3-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-methoxybenzenesulfonamide
CID 97105738
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (CID 113199869) is N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The InChIKey is KTARTTGHWFJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c1-22-14-3-2-11(9-13(14)18)19-25(20,21)17-12-5-7-23-15(12)8-10-4-6-24-16(10)17/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide has a molecular weight of 381.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is sourced from PubChem (CID 113199869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).