3-tert-butyl-5-chlorothiophene-2-sulfonamide

C8H12ClNO2S2 — CID 67523963

IUPAC3-tert-butyl-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C8H12ClNO2S2/c1-8(2,3)5-4-6(9)13-7(5)14(10,11)12/h4H,1-3H3,(H2,10,11,12)
InChIKeyBVJXECJFPWNBNM-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.35
Rot. Bonds1

About 3-tert-butyl-5-chlorothiophene-2-sulfonamide

3-tert-butyl-5-chlorothiophene-2-sulfonamide (PubChem CID 67523963) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-tert-butyl-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-5-chlorothiophene-2-sulfonamide
PubChem CID67523963
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name3-tert-butyl-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C8H12ClNO2S2/c1-8(2,3)5-4-6(9)13-7(5)14(10,11)12/h4H,1-3H3,(H2,10,11,12)
InChIKeyBVJXECJFPWNBNM-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chlorothiophene-2-sulfonamide?
The IUPAC name of 3-tert-butyl-5-chlorothiophene-2-sulfonamide (CID 67523963) is 3-tert-butyl-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 3-tert-butyl-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for 3-tert-butyl-5-chlorothiophene-2-sulfonamide is CC(C)(C)c1cc(Cl)sc1S(N)(=O)=O.
What is the InChIKey of 3-tert-butyl-5-chlorothiophene-2-sulfonamide?
The InChIKey is BVJXECJFPWNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-8(2,3)5-4-6(9)13-7(5)14(10,11)12/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 3-tert-butyl-5-chlorothiophene-2-sulfonamide?
3-tert-butyl-5-chlorothiophene-2-sulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 67523963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).