2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide

C11H16Cl2N2O2S2 — CID 71884662

IUPAC2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-7(2)15-4-3-8(6-15)14-19(16,17)9-5-10(12)18-11(9)13/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyGVIWHKCGKXZHQV-UHFFFAOYSA-N
MW343.30 g/mol
LogP2.82
Rot. Bonds4

About 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide (PubChem CID 71884662) has the molecular formula C11H16Cl2N2O2S2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide
PubChem CID71884662
Molecular FormulaC11H16Cl2N2O2S2
Molecular Weight343.30 g/mol
Exact Mass342.00
IUPAC Name2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-7(2)15-4-3-8(6-15)14-19(16,17)9-5-10(12)18-11(9)13/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyGVIWHKCGKXZHQV-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide (CID 71884662) is 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide is CC(C)N1CCC(NS(=O)(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide?
The InChIKey is GVIWHKCGKXZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S2/c1-7(2)15-4-3-8(6-15)14-19(16,17)9-5-10(12)18-11(9)13/h5,7-8,14H,3-4,6H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide has a molecular weight of 343.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-propan-2-ylpyrrolidin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 71884662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).