5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C10H14F2N2O2S2 — CID 112656575

IUPAC5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C10H14F2N2O2S2/c1-14(3-4-17-2)18(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeySOYAYJHXGFPCFJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656575) has the molecular formula C10H14F2N2O2S2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656575
Molecular FormulaC10H14F2N2O2S2
Molecular Weight296.36 g/mol
Exact Mass296.05
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C10H14F2N2O2S2/c1-14(3-4-17-2)18(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeySOYAYJHXGFPCFJ-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656609
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63206562
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
5-(chloromethyl)-2,3-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 105118487
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656575) is 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is SOYAYJHXGFPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S2/c1-14(3-4-17-2)18(15,16)10-6-9(13)7(11)5-8(10)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 296.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).