N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide

C13H20F2N2O2S — CID 147931901

IUPACN-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide
SMILESCCN(CC)c1ccc(C)c(NS(=O)(=O)CC(F)F)c1
InChIInChI=1S/C13H20F2N2O2S/c1-4-17(5-2)11-7-6-10(3)12(8-11)16-20(18,19)9-13(14)15/h6-8,13,16H,4-5,9H2,1-3H3
InChIKeyIKANXKUHOMTJIO-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.85
Rot. Bonds7

About N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide

N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide (PubChem CID 147931901) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide
PubChem CID147931901
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide
SMILESCCN(CC)c1ccc(C)c(NS(=O)(=O)CC(F)F)c1
InChIInChI=1S/C13H20F2N2O2S/c1-4-17(5-2)11-7-6-10(3)12(8-11)16-20(18,19)9-13(14)15/h6-8,13,16H,4-5,9H2,1-3H3
InChIKeyIKANXKUHOMTJIO-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
N-[2-[[2-acetamido-4-(diethylamino)phenyl]-[4-(diethylamino)-2-methylphenyl]methyl]-5-(diethylamino)phenyl]acetamide
CID 20537677
N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
CID 146667862
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 122142219
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
CID 21292728
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide?
The IUPAC name of N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide (CID 147931901) is N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide?
The canonical SMILES for N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide is CCN(CC)c1ccc(C)c(NS(=O)(=O)CC(F)F)c1.
What is the InChIKey of N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide?
The InChIKey is IKANXKUHOMTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-4-17(5-2)11-7-6-10(3)12(8-11)16-20(18,19)9-13(14)15/h6-8,13,16H,4-5,9H2,1-3H3.
What are the key properties of N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide?
N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide has a molecular weight of 306.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide is sourced from PubChem (CID 147931901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).