2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide

C11H12N2O2S2 — CID 1263108

IUPAC2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1
InChIInChI=1S/C11H12N2O2S2/c1-8-6-11(9(2)16-8)17(14,15)13-10-4-3-5-12-7-10/h3-7,13H,1-2H3
InChIKeyCQEFRFAXHZIKSM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

About 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide

2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide (PubChem CID 1263108) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide
PubChem CID1263108
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1
InChIInChI=1S/C11H12N2O2S2/c1-8-6-11(9(2)16-8)17(14,15)13-10-4-3-5-12-7-10/h3-7,13H,1-2H3
InChIKeyCQEFRFAXHZIKSM-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide (CID 1263108) is 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide?
The InChIKey is CQEFRFAXHZIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-6-11(9(2)16-8)17(14,15)13-10-4-3-5-12-7-10/h3-7,13H,1-2H3.
What are the key properties of 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide?
2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-pyridin-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 1263108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).