5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide

C11H17F2N3O2S — CID 55226750

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H17F2N3O2S/c1-15(2)4-5-16(3)19(17,18)11-7-10(14)8(12)6-9(11)13/h6-7H,4-5,14H2,1-3H3
InChIKeyOGYGEBAPQIMCNS-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.73
Rot. Bonds5

About 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide

5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 55226750) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID55226750
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H17F2N3O2S/c1-15(2)4-5-16(3)19(17,18)11-7-10(14)8(12)6-9(11)13/h6-7H,4-5,14H2,1-3H3
InChIKeyOGYGEBAPQIMCNS-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.73
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-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63206562
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
2-[(5-amino-2,4-difluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575899
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide (CID 55226750) is 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is OGYGEBAPQIMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-15(2)4-5-16(3)19(17,18)11-7-10(14)8(12)6-9(11)13/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide?
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55226750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).