N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide

C12H16F2N2O2S — CID 116652197

IUPACN-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-16(12(7-15)8-2-3-8)19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12H,2-3,7,15H2,1H3
InChIKeyKWOAXJKBHXEPJU-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.32
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 116652197) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
PubChem CID116652197
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2S/c1-16(12(7-15)8-2-3-8)19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12H,2-3,7,15H2,1H3
InChIKeyKWOAXJKBHXEPJU-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 116652152
N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 116652129
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 116652162
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 116652221
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 116652294
3-[(3,4-difluorophenyl)sulfonyl-methylamino]butanethioamide
CID 63223597
N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 116652179
3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79119655
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide (CID 116652197) is N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide is CN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is KWOAXJKBHXEPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-16(12(7-15)8-2-3-8)19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12H,2-3,7,15H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 116652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).