N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

C13H15NO3S2 — CID 1263332

IUPACN-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C13H15NO3S2/c1-9-7-13(10(2)18-9)19(15,16)14-11-5-4-6-12(8-11)17-3/h4-8,14H,1-3H3
InChIKeyIAGWNQABJNPMRD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds4

About N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 1263332) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID1263332
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C13H15NO3S2/c1-9-7-13(10(2)18-9)19(15,16)14-11-5-4-6-12(8-11)17-3/h4-8,14H,1-3H3
InChIKeyIAGWNQABJNPMRD-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 1263332) is N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is COc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is IAGWNQABJNPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-9-7-13(10(2)18-9)19(15,16)14-11-5-4-6-12(8-11)17-3/h4-8,14H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 1263332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).