N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide

C23H22ClF4N3OS — CID 69124022

IUPACN-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCC(c1cc(F)cc(C(F)(F)F)c1)(c1ccccn1)c1ccc(Cl)cn1
InChIInChI=1S/C23H22ClF4N3OS/c1-21(2,3)33(32)31-14-22(19-6-4-5-9-29-19,20-8-7-17(24)13-30-20)15-10-16(23(26,27)28)12-18(25)11-15/h4-13,31H,14H2,1-3H3
InChIKeyJZTWYICNTDYJTR-UHFFFAOYSA-N
MW499.96 g/mol
LogP5.67
Rot. Bonds6

About N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide

N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 69124022) has the molecular formula C23H22ClF4N3OS and a molecular weight of 499.96 g/mol. Its IUPAC name is N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID69124022
Molecular FormulaC23H22ClF4N3OS
Molecular Weight499.96 g/mol
Exact Mass499.11
IUPAC NameN-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCC(c1cc(F)cc(C(F)(F)F)c1)(c1ccccn1)c1ccc(Cl)cn1
InChIInChI=1S/C23H22ClF4N3OS/c1-21(2,3)33(32)31-14-22(19-6-4-5-9-29-19,20-8-7-17(24)13-30-20)15-10-16(23(26,27)28)12-18(25)11-15/h4-13,31H,14H2,1-3H3
InChIKeyJZTWYICNTDYJTR-UHFFFAOYSA-N
XLogP5.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Chloro-6''-methyl-[2,3'']bipyridinyl-3-yl)-benzenesulfonamide
CID 10269858
1-[1-[(5-chloro-3-pyridinyl)sulfonyl]-4-fluoro-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67177185
N-[[2-chloro-4-(2-fluorophenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 73353938
(6S)-6-[5-(5-chloro-2-pyridinyl)-2-fluorophenyl]-6-methyl-5-azaspiro[2.5]oct-4-en-4-amine
CID 168280287
US11021493, Example 272
CID 135125772
US11021493, Example 232
CID 135125836
US11021493, Example 114
CID 135125878
US11021493, Example 151
CID 135126175
US11021493, Example 242
CID 135126398
N-[2-chloro-4-methyl-5-(2-methyl-4-pyridinyl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118302663
N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(3,4-difluorophenyl)methanamine
CID 155553741
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide (CID 69124022) is N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCC(c1cc(F)cc(C(F)(F)F)c1)(c1ccccn1)c1ccc(Cl)cn1.
What is the InChIKey of N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JZTWYICNTDYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF4N3OS/c1-21(2,3)33(32)31-14-22(19-6-4-5-9-29-19,20-8-7-17(24)13-30-20)15-10-16(23(26,27)28)12-18(25)11-15/h4-13,31H,14H2,1-3H3.
What are the key properties of N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 499.96 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 69124022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).