N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride

C12H17ClF2N2O2S — CID 84591204

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC(CN)C2CC2)c(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-7-4-12(10(14)5-9(7)13)19(17,18)16-11(6-15)8-2-3-8;/h4-5,8,11,16H,2-3,6,15H2,1H3;1H
InChIKeyVSDVJYRUEAHMMF-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.71
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 84591204) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID84591204
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC(CN)C2CC2)c(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-7-4-12(10(14)5-9(7)13)19(17,18)16-11(6-15)8-2-3-8;/h4-5,8,11,16H,2-3,6,15H2,1H3;1H
InChIKeyVSDVJYRUEAHMMF-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride (CID 84591204) is N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC(CN)C2CC2)c(F)cc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VSDVJYRUEAHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-7-4-12(10(14)5-9(7)13)19(17,18)16-11(6-15)8-2-3-8;/h4-5,8,11,16H,2-3,6,15H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 84591204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).