N-benzyl-5-methylthiophene-2-sulfonamide

C12H13NO2S2 — CID 2241007

IUPACN-benzyl-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c1-10-7-8-12(16-10)17(14,15)13-9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3
InChIKeyQQOVBRIXKSFFEK-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.54
Rot. Bonds4

About N-benzyl-5-methylthiophene-2-sulfonamide

N-benzyl-5-methylthiophene-2-sulfonamide (PubChem CID 2241007) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-benzyl-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-methylthiophene-2-sulfonamide
PubChem CID2241007
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-benzyl-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c1-10-7-8-12(16-10)17(14,15)13-9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3
InChIKeyQQOVBRIXKSFFEK-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-methylthiophene-2-sulfonamide (CID 2241007) is N-benzyl-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-5-methylthiophene-2-sulfonamide?
The InChIKey is QQOVBRIXKSFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-10-7-8-12(16-10)17(14,15)13-9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3.
What are the key properties of N-benzyl-5-methylthiophene-2-sulfonamide?
N-benzyl-5-methylthiophene-2-sulfonamide has a molecular weight of 267.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 2241007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).