3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide

C19H20ClNO4S — CID 113096103

IUPAC3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
SMILESCN(CCc1c2c(cc3c1OCC3)OCC2)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO4S/c1-21(26(22,23)15-4-2-3-14(20)12-15)8-5-17-16-7-10-24-18(16)11-13-6-9-25-19(13)17/h2-4,11-12H,5-10H2,1H3
InChIKeyNFGKROYHWYZVGC-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.07
Rot. Bonds5

About 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide

3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide (PubChem CID 113096103) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
PubChem CID113096103
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
SMILESCN(CCc1c2c(cc3c1OCC3)OCC2)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO4S/c1-21(26(22,23)15-4-2-3-14(20)12-15)8-5-17-16-7-10-24-18(16)11-13-6-9-25-19(13)17/h2-4,11-12H,5-10H2,1H3
InChIKeyNFGKROYHWYZVGC-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide (CID 113096103) is 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide is CN(CCc1c2c(cc3c1OCC3)OCC2)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide?
The InChIKey is NFGKROYHWYZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-21(26(22,23)15-4-2-3-14(20)12-15)8-5-17-16-7-10-24-18(16)11-13-6-9-25-19(13)17/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide?
3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide has a molecular weight of 393.89 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113096103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).