1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide

C10H14F3N3O2S — CID 82811411

IUPAC1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O2S/c1-2-8(5-14)19(17,18)16-7-3-4-9(15-6-7)10(11,12)13/h3-4,6,8,16H,2,5,14H2,1H3
InChIKeyJCDXIMJAFOJCSG-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.58
Rot. Bonds5

About 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide

1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide (PubChem CID 82811411) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide
PubChem CID82811411
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O2S/c1-2-8(5-14)19(17,18)16-7-3-4-9(15-6-7)10(11,12)13/h3-4,6,8,16H,2,5,14H2,1H3
InChIKeyJCDXIMJAFOJCSG-UHFFFAOYSA-N
XLogP1.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 106074537
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
N-ethyl-6-(trifluoromethyl)pyridin-3-amine;4-methylbenzenesulfonic acid
CID 174705204
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
2-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 82795405
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711887
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 82795263
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
CID 82817087
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide?
The IUPAC name of 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide (CID 82811411) is 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide is CCC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide?
The InChIKey is JCDXIMJAFOJCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-2-8(5-14)19(17,18)16-7-3-4-9(15-6-7)10(11,12)13/h3-4,6,8,16H,2,5,14H2,1H3.
What are the key properties of 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide?
1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-(trifluoromethyl)-3-pyridinyl]butane-2-sulfonamide is sourced from PubChem (CID 82811411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).