N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride

C14H15ClN4O3S — CID 84591138

IUPACN-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cccc2nonc12)c1ccccc1
InChIInChI=1S/C14H14N4O3S.ClH/c15-11(10-5-2-1-3-6-10)9-16-22(19,20)13-8-4-7-12-14(13)18-21-17-12;/h1-8,11,16H,9,15H2;1H
InChIKeyGOABLWYSQDUREJ-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.62
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride (PubChem CID 84591138) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
PubChem CID84591138
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC NameN-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cccc2nonc12)c1ccccc1
InChIInChI=1S/C14H14N4O3S.ClH/c15-11(10-5-2-1-3-6-10)9-16-22(19,20)13-8-4-7-12-14(13)18-21-17-12;/h1-8,11,16H,9,15H2;1H
InChIKeyGOABLWYSQDUREJ-UHFFFAOYSA-N
XLogP1.62
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 4092014
N-[(4-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 19680703
N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
CID 42582628

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride (CID 84591138) is N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride is Cl.NC(CNS(=O)(=O)c1cccc2nonc12)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride?
The InChIKey is GOABLWYSQDUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S.ClH/c15-11(10-5-2-1-3-6-10)9-16-22(19,20)13-8-4-7-12-14(13)18-21-17-12;/h1-8,11,16H,9,15H2;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride has a molecular weight of 354.82 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 84591138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).