(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C18H19Br2F2NOS — CID 163870414

IUPAC(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C18H19Br2F2NOS/c1-18(2,3)25(24)23-17(15-9-12(19)4-5-16(15)20)8-11-6-13(21)10-14(22)7-11/h4-7,9-10,17,23H,8H2,1-3H3/t17-,25+/m0/s1
InChIKeyPKHUSBLEJGTQQM-SSOJOUAXSA-N
MW495.23 g/mol
LogP5.83
Rot. Bonds5

About (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 163870414) has the molecular formula C18H19Br2F2NOS and a molecular weight of 495.23 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID163870414
Molecular FormulaC18H19Br2F2NOS
Molecular Weight495.23 g/mol
Exact Mass492.95
IUPAC Name(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C18H19Br2F2NOS/c1-18(2,3)25(24)23-17(15-9-12(19)4-5-16(15)20)8-11-6-13(21)10-14(22)7-11/h4-7,9-10,17,23H,8H2,1-3H3/t17-,25+/m0/s1
InChIKeyPKHUSBLEJGTQQM-SSOJOUAXSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.23
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-3-hydroxypropyl]-2-methylpropane-2-sulfinamide;fluoromethane
CID 144693188
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
[1-(2,5-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283783
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-nitroethyl]-2-methylpropane-2-sulfinamide
CID 118045788
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
(R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176572846
(S)-N-[(1S)-1-(3,5-difluorophenyl)-4,4-dimethylhexyl]-2-methylpropane-2-sulfinamide
CID 58550622

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 163870414) is (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PKHUSBLEJGTQQM-SSOJOUAXSA-N. The full InChI is InChI=1S/C18H19Br2F2NOS/c1-18(2,3)25(24)23-17(15-9-12(19)4-5-16(15)20)8-11-6-13(21)10-14(22)7-11/h4-7,9-10,17,23H,8H2,1-3H3/t17-,25+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 495.23 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163870414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).