N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide

C17H17NO2S3 — CID 66907340

IUPACN-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO2S3/c1-21-12-11-18(23(19,20)15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)22-17/h2-10,13H,11-12H2,1H3
InChIKeyDXRHZZVHFMUUPE-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.46
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 66907340) has the molecular formula C17H17NO2S3 and a molecular weight of 363.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID66907340
Molecular FormulaC17H17NO2S3
Molecular Weight363.53 g/mol
Exact Mass363.04
IUPAC NameN-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO2S3/c1-21-12-11-18(23(19,20)15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)22-17/h2-10,13H,11-12H2,1H3
InChIKeyDXRHZZVHFMUUPE-UHFFFAOYSA-N
XLogP4.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 66907340) is N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is DXRHZZVHFMUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S3/c1-21-12-11-18(23(19,20)15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)22-17/h2-10,13H,11-12H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 363.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 66907340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).