N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride

C11H15BrCl2N2O2S — CID 119986989

IUPACN-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-9(13)11(5-8)18(16,17)15-10(6-14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyMRLFMQUDOBTHKM-UHFFFAOYSA-N
MW390.13 g/mol
LogP2.54
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride (PubChem CID 119986989) has the molecular formula C11H15BrCl2N2O2S and a molecular weight of 390.13 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
PubChem CID119986989
Molecular FormulaC11H15BrCl2N2O2S
Molecular Weight390.13 g/mol
Exact Mass387.94
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-9(13)11(5-8)18(16,17)15-10(6-14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyMRLFMQUDOBTHKM-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
CID 65188609

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride (CID 119986989) is N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is MRLFMQUDOBTHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-9(13)11(5-8)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)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 390.13 g/mol, XLogP of 2.54, 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)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).