N,N,2-trimethyl-1-benzothiophene-3-sulfonamide

C11H13NO2S2 — CID 71973602

IUPACN,N,2-trimethyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13NO2S2/c1-8-11(16(13,14)12(2)3)9-6-4-5-7-10(9)15-8/h4-7H,1-3H3
InChIKeyRKNZJERGURPOAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.46
Rot. Bonds2

About N,N,2-trimethyl-1-benzothiophene-3-sulfonamide

N,N,2-trimethyl-1-benzothiophene-3-sulfonamide (PubChem CID 71973602) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N,2-trimethyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-1-benzothiophene-3-sulfonamide
PubChem CID71973602
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC NameN,N,2-trimethyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13NO2S2/c1-8-11(16(13,14)12(2)3)9-6-4-5-7-10(9)15-8/h4-7H,1-3H3
InChIKeyRKNZJERGURPOAZ-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of N,N,2-trimethyl-1-benzothiophene-3-sulfonamide (CID 71973602) is N,N,2-trimethyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N,N,2-trimethyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N,N,2-trimethyl-1-benzothiophene-3-sulfonamide is Cc1sc2ccccc2c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-benzothiophene-3-sulfonamide?
The InChIKey is RKNZJERGURPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-8-11(16(13,14)12(2)3)9-6-4-5-7-10(9)15-8/h4-7H,1-3H3.
What are the key properties of N,N,2-trimethyl-1-benzothiophene-3-sulfonamide?
N,N,2-trimethyl-1-benzothiophene-3-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71973602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).