4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride

C8H5ClF6N2O3S — CID 134670035

IUPAC4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1c(C(F)(F)F)cnc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)6-5(20-8(13,14)15)3(1-16)4(2-17-6)7(10,11)12/h2H,1,16H2
InChIKeyGBOXVJZWNRALGK-UHFFFAOYSA-N
MW358.65 g/mol
LogP2.39
Rot. Bonds3

About 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride

4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 134670035) has the molecular formula C8H5ClF6N2O3S and a molecular weight of 358.65 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID134670035
Molecular FormulaC8H5ClF6N2O3S
Molecular Weight358.65 g/mol
Exact Mass357.96
IUPAC Name4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1c(C(F)(F)F)cnc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)6-5(20-8(13,14)15)3(1-16)4(2-17-6)7(10,11)12/h2H,1,16H2
InChIKeyGBOXVJZWNRALGK-UHFFFAOYSA-N
XLogP2.39
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
ethyl 2-[2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134678202
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride (CID 134670035) is 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride is NCc1c(C(F)(F)F)cnc(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is GBOXVJZWNRALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF6N2O3S/c9-21(18,19)6-5(20-8(13,14)15)3(1-16)4(2-17-6)7(10,11)12/h2H,1,16H2.
What are the key properties of 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride?
4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 358.65 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134670035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).