N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide

C9H10ClF3N2O2S — CID 154779778

IUPACN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O2S/c1-2-5-18(16,17)15-7-4-3-6(10)8(14-7)9(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyBCZWDNQNUZUVLI-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.91
Rot. Bonds4

About N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide

N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 154779778) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide
PubChem CID154779778
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC NameN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O2S/c1-2-5-18(16,17)15-7-4-3-6(10)8(14-7)9(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyBCZWDNQNUZUVLI-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide (CID 154779778) is N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is BCZWDNQNUZUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-2-5-18(16,17)15-7-4-3-6(10)8(14-7)9(11,12)13/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide?
N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 302.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 154779778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).