N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

C15H21F3N2O3S — CID 164631711

IUPACN-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H21F3N2O3S/c1-10(2)11(3)20(12-4-5-12)24(21,22)13-6-7-14(19-8-13)23-9-15(16,17)18/h6-8,10-12H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyXTNSHZJPGXXZSN-NSHDSACASA-N
MW366.41 g/mol
LogP3.22
Rot. Bonds7

About N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (PubChem CID 164631711) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
PubChem CID164631711
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H21F3N2O3S/c1-10(2)11(3)20(12-4-5-12)24(21,22)13-6-7-14(19-8-13)23-9-15(16,17)18/h6-8,10-12H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyXTNSHZJPGXXZSN-NSHDSACASA-N
XLogP3.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (CID 164631711) is N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The InChIKey is XTNSHZJPGXXZSN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-10(2)11(3)20(12-4-5-12)24(21,22)13-6-7-14(19-8-13)23-9-15(16,17)18/h6-8,10-12H,4-5,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide has a molecular weight of 366.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 164631711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).