N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide

C13H15NO2S2 — CID 1092818

IUPACN-(2-propan-2-ylphenyl)thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-10(2)11-6-3-4-7-12(11)14-18(15,16)13-8-5-9-17-13/h3-10,14H,1-2H3
InChIKeyGAXPTVANQKWUMH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.67
Rot. Bonds4

About N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide

N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide (PubChem CID 1092818) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)thiophene-2-sulfonamide
PubChem CID1092818
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(2-propan-2-ylphenyl)thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-10(2)11-6-3-4-7-12(11)14-18(15,16)13-8-5-9-17-13/h3-10,14H,1-2H3
InChIKeyGAXPTVANQKWUMH-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide (CID 1092818) is N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide is CC(C)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is GAXPTVANQKWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-10(2)11-6-3-4-7-12(11)14-18(15,16)13-8-5-9-17-13/h3-10,14H,1-2H3.
What are the key properties of N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide?
N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 281.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 1092818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).