2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide

C12H18F3N3O2S — CID 62147964

IUPAC2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)ccn1
InChIInChI=1S/C12H18F3N3O2S/c1-4-16-11-7-10(5-6-17-11)21(19,20)18(9(2)3)8-12(13,14)15/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyYGVJSPUUBVJFDI-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.47
Rot. Bonds6

About 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide

2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide (PubChem CID 62147964) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
PubChem CID62147964
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)ccn1
InChIInChI=1S/C12H18F3N3O2S/c1-4-16-11-7-10(5-6-17-11)21(19,20)18(9(2)3)8-12(13,14)15/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyYGVJSPUUBVJFDI-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-sulfonamide
CID 55043729
N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151680
N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 55044340
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
CID 62157688
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
2-(ethylamino)-N-(3-ethylpentan-2-yl)pyridine-4-sulfonamide
CID 63838256
N-(cyclohexylmethyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151719
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide (CID 62147964) is 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)ccn1.
What is the InChIKey of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The InChIKey is YGVJSPUUBVJFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-4-16-11-7-10(5-6-17-11)21(19,20)18(9(2)3)8-12(13,14)15/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62147964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).