2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide

C7H9Cl2NO2S2 — CID 20637212

IUPAC2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NO2S2/c1-4(2)10-14(11,12)5-3-6(8)13-7(5)9/h3-4,10H,1-2H3
InChIKeyCBMYKXKDIYOKJH-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.74
Rot. Bonds3

About 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide

2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 20637212) has the molecular formula C7H9Cl2NO2S2 and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID20637212
Molecular FormulaC7H9Cl2NO2S2
Molecular Weight274.19 g/mol
Exact Mass272.95
IUPAC Name2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NO2S2/c1-4(2)10-14(11,12)5-3-6(8)13-7(5)9/h3-4,10H,1-2H3
InChIKeyCBMYKXKDIYOKJH-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide (CID 20637212) is 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide is CC(C)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is CBMYKXKDIYOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO2S2/c1-4(2)10-14(11,12)5-3-6(8)13-7(5)9/h3-4,10H,1-2H3.
What are the key properties of 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide?
2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 274.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 20637212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).