5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide

C14H16ClNO3S2 — CID 71975871

IUPAC5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1csc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO3S2/c1-16(7-10-4-5-19-8-10)21(17,18)14-9-20-13-3-2-11(15)6-12(13)14/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyGKXYCTDIPJRSJN-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide

5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide (PubChem CID 71975871) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide
PubChem CID71975871
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1csc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO3S2/c1-16(7-10-4-5-19-8-10)21(17,18)14-9-20-13-3-2-11(15)6-12(13)14/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyGKXYCTDIPJRSJN-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide (CID 71975871) is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide is CN(CC1CCOC1)S(=O)(=O)c1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide?
The InChIKey is GKXYCTDIPJRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-16(7-10-4-5-19-8-10)21(17,18)14-9-20-13-3-2-11(15)6-12(13)14/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide?
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71975871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).