N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C18H21BrClNOS — CID 171791304

IUPACN-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc(Br)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21BrClNOS/c1-12(21-23(22)18(2,3)4)14-8-15(10-16(19)9-14)13-6-5-7-17(20)11-13/h5-12,21H,1-4H3
InChIKeyCVPFXMJVXOQUDJ-UHFFFAOYSA-N
MW414.80 g/mol
LogP5.88
Rot. Bonds4

About N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 171791304) has the molecular formula C18H21BrClNOS and a molecular weight of 414.80 g/mol. Its IUPAC name is N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID171791304
Molecular FormulaC18H21BrClNOS
Molecular Weight414.80 g/mol
Exact Mass413.02
IUPAC NameN-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc(Br)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21BrClNOS/c1-12(21-23(22)18(2,3)4)14-8-15(10-16(19)9-14)13-6-5-7-17(20)11-13/h5-12,21H,1-4H3
InChIKeyCVPFXMJVXOQUDJ-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.80
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
CID 171791268
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 121362441
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753
(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 176890367
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 162452443

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 171791304) is N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cc(Br)cc(-c2cccc(Cl)c2)c1.
What is the InChIKey of N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CVPFXMJVXOQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClNOS/c1-12(21-23(22)18(2,3)4)14-8-15(10-16(19)9-14)13-6-5-7-17(20)11-13/h5-12,21H,1-4H3.
What are the key properties of N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 414.80 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171791304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).