N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride

C16H21ClN2O2S — CID 119976287

IUPACN-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12-8-9-13(2)16(10-12)21(19,20)18-11-15(17)14-6-4-3-5-7-14;/h3-10,15,18H,11,17H2,1-2H3;1H
InChIKeyFEQGJPVGAKXFNY-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119976287) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119976287
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NCC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12-8-9-13(2)16(10-12)21(19,20)18-11-15(17)14-6-4-3-5-7-14;/h3-10,15,18H,11,17H2,1-2H3;1H
InChIKeyFEQGJPVGAKXFNY-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-4-methyl-2-nitrobenzenesulfonamide
CID 84591511
N-(2-amino-2-phenylethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120709313
N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
CID 115752625
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
CID 35644810
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 119976287) is N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)NCC(N)c2ccccc2)c1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is FEQGJPVGAKXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-12-8-9-13(2)16(10-12)21(19,20)18-11-15(17)14-6-4-3-5-7-14;/h3-10,15,18H,11,17H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.70, 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-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).