N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide

C11H14ClFN2O2S — CID 120713301

IUPACN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-2-1-3-9(13)11(8)18(16,17)15-6-10(14)7-4-5-7/h1-3,7,10,15H,4-6,14H2
InChIKeyWMSOGHFIHTYHHN-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.49
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide (PubChem CID 120713301) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
PubChem CID120713301
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-2-1-3-9(13)11(8)18(16,17)15-6-10(14)7-4-5-7/h1-3,7,10,15H,4-6,14H2
InChIKeyWMSOGHFIHTYHHN-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 120582330
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide (CID 120713301) is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide is NC(CNS(=O)(=O)c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide?
The InChIKey is WMSOGHFIHTYHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-8-2-1-3-9(13)11(8)18(16,17)15-6-10(14)7-4-5-7/h1-3,7,10,15H,4-6,14H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide is sourced from PubChem (CID 120713301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).