6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide

C8H8F5N3O2S — CID 118808682

IUPAC6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNCc1nc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H8F5N3O2S/c9-6(10)3-1-4(8(11,12)13)7(19(15,17)18)16-5(3)2-14/h1,6H,2,14H2,(H2,15,17,18)
InChIKeyRZMMMYMWYKCHGP-UHFFFAOYSA-N
MW305.23 g/mol
LogP1.14
Rot. Bonds3

About 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide

6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 118808682) has the molecular formula C8H8F5N3O2S and a molecular weight of 305.23 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID118808682
Molecular FormulaC8H8F5N3O2S
Molecular Weight305.23 g/mol
Exact Mass305.03
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESNCc1nc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H8F5N3O2S/c9-6(10)3-1-4(8(11,12)13)7(19(15,17)18)16-5(3)2-14/h1,6H,2,14H2,(H2,15,17,18)
InChIKeyRZMMMYMWYKCHGP-UHFFFAOYSA-N
XLogP1.14
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 118849387
6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118808647
3-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084824
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
CID 118851946

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide (CID 118808682) is 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide is NCc1nc(S(N)(=O)=O)c(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is RZMMMYMWYKCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O2S/c9-6(10)3-1-4(8(11,12)13)7(19(15,17)18)16-5(3)2-14/h1,6H,2,14H2,(H2,15,17,18).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide?
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 305.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 118808682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).