N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide

C13H18Cl2N2O3S2 — CID 38819775

IUPACN-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O3S2/c1-2-7-22(19,20)16-9-3-5-17(6-4-9)13(18)10-8-11(14)21-12(10)15/h8-9,16H,2-7H2,1H3
InChIKeyGWZZDNYGLMDDFH-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.99
Rot. Bonds5

About N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 38819775) has the molecular formula C13H18Cl2N2O3S2 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID38819775
Molecular FormulaC13H18Cl2N2O3S2
Molecular Weight385.34 g/mol
Exact Mass384.01
IUPAC NameN-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O3S2/c1-2-7-22(19,20)16-9-3-5-17(6-4-9)13(18)10-8-11(14)21-12(10)15/h8-9,16H,2-7H2,1H3
InChIKeyGWZZDNYGLMDDFH-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide (CID 38819775) is N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is GWZZDNYGLMDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S2/c1-2-7-22(19,20)16-9-3-5-17(6-4-9)13(18)10-8-11(14)21-12(10)15/h8-9,16H,2-7H2,1H3.
What are the key properties of N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 385.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 38819775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).