N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride

C11H15Cl2FN2O2S — CID 86780735

IUPACN-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-9-4-3-8(13)5-11(9)18(16,17)15-10(6-14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyZBRPKBFUSGTIAL-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.92
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride (PubChem CID 86780735) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
PubChem CID86780735
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-9-4-3-8(13)5-11(9)18(16,17)15-10(6-14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyZBRPKBFUSGTIAL-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
CID 105400186
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride (CID 86780735) is N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is ZBRPKBFUSGTIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c12-9-4-3-8(13)5-11(9)18(16,17)15-10(6-14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 1.92, 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-chloro-5-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 86780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).