N-butan-2-ylthiophene-2-sulfonamide

C8H13NO2S2 — CID 2880364

IUPACN-butan-2-ylthiophene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-3-7(2)9-13(10,11)8-5-4-6-12-8/h4-7,9H,3H2,1-2H3
InChIKeyXKFBXTIWCYHLHD-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.82
Rot. Bonds4

About N-butan-2-ylthiophene-2-sulfonamide

N-butan-2-ylthiophene-2-sulfonamide (PubChem CID 2880364) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butan-2-ylthiophene-2-sulfonamide
PubChem CID2880364
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC NameN-butan-2-ylthiophene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-3-7(2)9-13(10,11)8-5-4-6-12-8/h4-7,9H,3H2,1-2H3
InChIKeyXKFBXTIWCYHLHD-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-butan-2-ylthiophene-2-sulfonamide (CID 2880364) is N-butan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-butan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-butan-2-ylthiophene-2-sulfonamide is CCC(C)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-butan-2-ylthiophene-2-sulfonamide?
The InChIKey is XKFBXTIWCYHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-3-7(2)9-13(10,11)8-5-4-6-12-8/h4-7,9H,3H2,1-2H3.
What are the key properties of N-butan-2-ylthiophene-2-sulfonamide?
N-butan-2-ylthiophene-2-sulfonamide has a molecular weight of 219.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2880364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).