N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

C12H13NO3S2 — CID 769044

IUPACN-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO3S2/c1-9-5-6-11(16-2)10(8-9)13-18(14,15)12-4-3-7-17-12/h3-8,13H,1-2H3
InChIKeyUBIQXAQHJUEMTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.87
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (PubChem CID 769044) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
PubChem CID769044
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO3S2/c1-9-5-6-11(16-2)10(8-9)13-18(14,15)12-4-3-7-17-12/h3-8,13H,1-2H3
InChIKeyUBIQXAQHJUEMTA-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (CID 769044) is N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is UBIQXAQHJUEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-9-5-6-11(16-2)10(8-9)13-18(14,15)12-4-3-7-17-12/h3-8,13H,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 769044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).