5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

C13H15NO2S2 — CID 2148031

IUPAC5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C13H15NO2S2/c1-10-3-6-12(7-4-10)9-14-18(15,16)13-8-5-11(2)17-13/h3-8,14H,9H2,1-2H3
InChIKeyZUJAWGUMGMQADJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.84
Rot. Bonds4

About 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 2148031) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID2148031
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C13H15NO2S2/c1-10-3-6-12(7-4-10)9-14-18(15,16)13-8-5-11(2)17-13/h3-8,14H,9H2,1-2H3
InChIKeyZUJAWGUMGMQADJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (CID 2148031) is 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZUJAWGUMGMQADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-10-3-6-12(7-4-10)9-14-18(15,16)13-8-5-11(2)17-13/h3-8,14H,9H2,1-2H3.
What are the key properties of 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 281.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2148031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).