N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

C17H16Cl2F5N3OS — CID 162509755

IUPACN-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1cnc(C(F)(F)F)c(Cl)c1)c1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C17H16Cl2F5N3OS/c1-16(2,3)29(28)27-12(11-5-4-9(18)13(26-11)15(20)21)8-6-10(19)14(25-7-8)17(22,23)24/h4-7,12,15,27H,1-3H3
InChIKeyAEYZQDPZXMZDGP-UHFFFAOYSA-N
MW476.30 g/mol
LogP5.88
Rot. Bonds5

About N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 162509755) has the molecular formula C17H16Cl2F5N3OS and a molecular weight of 476.30 g/mol. Its IUPAC name is N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID162509755
Molecular FormulaC17H16Cl2F5N3OS
Molecular Weight476.30 g/mol
Exact Mass475.03
IUPAC NameN-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1cnc(C(F)(F)F)c(Cl)c1)c1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C17H16Cl2F5N3OS/c1-16(2,3)29(28)27-12(11-5-4-9(18)13(26-11)15(20)21)8-6-10(19)14(25-7-8)17(22,23)24/h4-7,12,15,27H,1-3H3
InChIKeyAEYZQDPZXMZDGP-UHFFFAOYSA-N
XLogP5.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.30
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]amino]-oxidosulfanium
CID 175417310
N-[(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-methylpropane-2-sulfinamide
CID 166110904
(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 158673447
1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509658
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 155338823
(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 155338827
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510510
N-[(1R)-1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510508
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176945435
5-chloro-2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 134685820

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (CID 162509755) is N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(c1cnc(C(F)(F)F)c(Cl)c1)c1ccc(Cl)c(C(F)F)n1.
What is the InChIKey of N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AEYZQDPZXMZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F5N3OS/c1-16(2,3)29(28)27-12(11-5-4-9(18)13(26-11)15(20)21)8-6-10(19)14(25-7-8)17(22,23)24/h4-7,12,15,27H,1-3H3.
What are the key properties of N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 476.30 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162509755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).