N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C19H19F3N2O3S — CID 127041729

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2c1CCCC2
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)14-8-9-17(24-12-14)28(26,27)11-10-23-18(25)16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12H,1-2,4,6,10-11H2,(H,23,25)
InChIKeyWIICLYGUTBUPBM-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 127041729) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID127041729
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2c1CCCC2
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)14-8-9-17(24-12-14)28(26,27)11-10-23-18(25)16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12H,1-2,4,6,10-11H2,(H,23,25)
InChIKeyWIICLYGUTBUPBM-UHFFFAOYSA-N
XLogP3.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 127041729) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is WIICLYGUTBUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)14-8-9-17(24-12-14)28(26,27)11-10-23-18(25)16-7-3-5-13-4-1-2-6-15(13)16/h3,5,7-9,12H,1-2,4,6,10-11H2,(H,23,25).
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 127041729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).