5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide

C15H16ClF3N2O2S2 — CID 1483828

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C15H16ClF3N2O2S2/c1-3-21(4-2)25(22,23)14-6-5-11(24-14)8-13-12(16)7-10(9-20-13)15(17,18)19/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZWLLBMKHBAHHCR-UHFFFAOYSA-N
MW412.89 g/mol
LogP4.44
Rot. Bonds6

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide (PubChem CID 1483828) has the molecular formula C15H16ClF3N2O2S2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide
PubChem CID1483828
Molecular FormulaC15H16ClF3N2O2S2
Molecular Weight412.89 g/mol
Exact Mass412.03
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C15H16ClF3N2O2S2/c1-3-21(4-2)25(22,23)14-6-5-11(24-14)8-13-12(16)7-10(9-20-13)15(17,18)19/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZWLLBMKHBAHHCR-UHFFFAOYSA-N
XLogP4.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide (CID 1483828) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide?
The InChIKey is ZWLLBMKHBAHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2S2/c1-3-21(4-2)25(22,23)14-6-5-11(24-14)8-13-12(16)7-10(9-20-13)15(17,18)19/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide has a molecular weight of 412.89 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N,N-diethylthiophene-2-sulfonamide is sourced from PubChem (CID 1483828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).