N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide

C10H13F3N2O2S2 — CID 56785090

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2S2/c1-2-19(16,17)15-5-6-18-9-4-3-8(7-14-9)10(11,12)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyCVEJRWRBSXOETF-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.13
Rot. Bonds6

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide (PubChem CID 56785090) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide
PubChem CID56785090
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2S2/c1-2-19(16,17)15-5-6-18-9-4-3-8(7-14-9)10(11,12)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyCVEJRWRBSXOETF-UHFFFAOYSA-N
XLogP2.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanal
CID 14347987
N-benzyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 62576697
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
CID 62577316
3-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]aniline
CID 62577310
2,2-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 65253161
2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
CID 106810911
phenyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanesulfonate
CID 55410300
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-amine
CID 62579002
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
CID 63035550
N-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butyl]cyclopropanamine
CID 62578799
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
CID 55212515

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide (CID 56785090) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide?
The InChIKey is CVEJRWRBSXOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c1-2-19(16,17)15-5-6-18-9-4-3-8(7-14-9)10(11,12)13/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 2.13, 6 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]sulfanyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 56785090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).