N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane

C10H15F2NOS — CID 163229300

IUPACN-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane
SMILESCC.Cc1c(F)ccc(NS(C)=O)c1F
InChIInChI=1S/C8H9F2NOS.C2H6/c1-5-6(9)3-4-7(8(5)10)11-13(2)12;1-2/h3-4,11H,1-2H3;1-2H3
InChIKeyDPJQQBPRJRVVQQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.00
Rot. Bonds2

About N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane

N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane (PubChem CID 163229300) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane.

Molecular Properties

Compound NameN-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane
PubChem CID163229300
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC NameN-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane
SMILESCC.Cc1c(F)ccc(NS(C)=O)c1F
InChIInChI=1S/C8H9F2NOS.C2H6/c1-5-6(9)3-4-7(8(5)10)11-13(2)12;1-2/h3-4,11H,1-2H3;1-2H3
InChIKeyDPJQQBPRJRVVQQ-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N,3-dimethylaniline
CID 134441747
N-(4-cyano-2-fluorophenyl)methanesulfinamide
CID 130948795
2,4-difluoro-3-methylbenzenesulfinic acid
CID 15514818
2,4-difluoro-N-(3-fluoro-4-methylphenyl)sulfanyl-3-methylaniline;ethane
CID 156833126
N-(2,4-difluoro-3-formylphenyl)-3,5-dimethylbenzenesulfinamide
CID 123333409
4-fluoro-N,2,3-trimethylaniline
CID 155403467
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
2-(2,4-difluoro-3-methylphenyl)propan-2-amine
CID 83410035
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
N-(4-fluoro-2-iodo-3-methylphenyl)formamide
CID 168653017
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882
2,6-difluoro-3-(propylsulfinylamino)benzoic acid
CID 137483384

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane?
The IUPAC name of N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane (CID 163229300) is N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane.
What is the SMILES notation for N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane?
The canonical SMILES for N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane is CC.Cc1c(F)ccc(NS(C)=O)c1F.
What is the InChIKey of N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane?
The InChIKey is DPJQQBPRJRVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS.C2H6/c1-5-6(9)3-4-7(8(5)10)11-13(2)12;1-2/h3-4,11H,1-2H3;1-2H3.
What are the key properties of N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane?
N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane has a molecular weight of 235.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane is sourced from PubChem (CID 163229300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).