4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide

C17H20N2O3S2 — CID 10155692

IUPAC4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc2c(c1)CCS2
InChIInChI=1S/C17H20N2O3S2/c1-19(2)11-13-10-15(24(18,20)21)4-5-16(13)22-14-3-6-17-12(9-14)7-8-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H2,18,20,21)
InChIKeyIHINHVZKTRUFRD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.84
Rot. Bonds5

About 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide

4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide (PubChem CID 10155692) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide
PubChem CID10155692
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc2c(c1)CCS2
InChIInChI=1S/C17H20N2O3S2/c1-19(2)11-13-10-15(24(18,20)21)4-5-16(13)22-14-3-6-17-12(9-14)7-8-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H2,18,20,21)
InChIKeyIHINHVZKTRUFRD-UHFFFAOYSA-N
XLogP2.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide (CID 10155692) is 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide is CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc2c(c1)CCS2.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide?
The InChIKey is IHINHVZKTRUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-19(2)11-13-10-15(24(18,20)21)4-5-16(13)22-14-3-6-17-12(9-14)7-8-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide?
4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-5-yloxy)-3-[(dimethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 10155692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).