3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide

C13H13F3N2O2S2 — CID 91625886

IUPAC3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cccnc1-c1cccs1
InChIInChI=1S/C13H13F3N2O2S2/c14-13(15,16)5-8-22(19,20)18-9-10-3-1-6-17-12(10)11-4-2-7-21-11/h1-4,6-7,18H,5,8-9H2
InChIKeyLMWLSZSHFPSIFP-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.18
Rot. Bonds6

About 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide (PubChem CID 91625886) has the molecular formula C13H13F3N2O2S2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
PubChem CID91625886
Molecular FormulaC13H13F3N2O2S2
Molecular Weight350.39 g/mol
Exact Mass350.04
IUPAC Name3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cccnc1-c1cccs1
InChIInChI=1S/C13H13F3N2O2S2/c14-13(15,16)5-8-22(19,20)18-9-10-3-1-6-17-12(10)11-4-2-7-21-11/h1-4,6-7,18H,5,8-9H2
InChIKeyLMWLSZSHFPSIFP-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide (CID 91625886) is 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCc1cccnc1-c1cccs1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The InChIKey is LMWLSZSHFPSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S2/c14-13(15,16)5-8-22(19,20)18-9-10-3-1-6-17-12(10)11-4-2-7-21-11/h1-4,6-7,18H,5,8-9H2.
What are the key properties of 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide has a molecular weight of 350.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 91625886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).