N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide

C12H13NO4S2 — CID 652593

IUPACN-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H13NO4S2/c1-16-9-5-6-11(17-2)10(8-9)13-19(14,15)12-4-3-7-18-12/h3-8,13H,1-2H3
InChIKeyUVLTTWYCUQDHEY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.57
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide

N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 652593) has the molecular formula C12H13NO4S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID652593
Molecular FormulaC12H13NO4S2
Molecular Weight299.37 g/mol
Exact Mass299.03
IUPAC NameN-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H13NO4S2/c1-16-9-5-6-11(17-2)10(8-9)13-19(14,15)12-4-3-7-18-12/h3-8,13H,1-2H3
InChIKeyUVLTTWYCUQDHEY-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (CID 652593) is N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is UVLTTWYCUQDHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S2/c1-16-9-5-6-11(17-2)10(8-9)13-19(14,15)12-4-3-7-18-12/h3-8,13H,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 299.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 652593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).