N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide

C13H11NO2S3 — CID 3802406

IUPACN-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1cccs1
InChIInChI=1S/C13H11NO2S3/c15-19(16,13-6-3-7-17-13)14-8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14H,8H2
InChIKeyJNNUDEKMWNNMTO-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.44
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide

N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 3802406) has the molecular formula C13H11NO2S3 and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID3802406
Molecular FormulaC13H11NO2S3
Molecular Weight309.44 g/mol
Exact Mass309.00
IUPAC NameN-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1cccs1
InChIInChI=1S/C13H11NO2S3/c15-19(16,13-6-3-7-17-13)14-8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14H,8H2
InChIKeyJNNUDEKMWNNMTO-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide (CID 3802406) is N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1csc2ccccc12)c1cccs1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is JNNUDEKMWNNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S3/c15-19(16,13-6-3-7-17-13)14-8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14H,8H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide?
N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3802406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).