N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride

C16H21ClN2O3S — CID 75386775

IUPACN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13;/h3-10,15,18H,11,17H2,1-2H3;1H
InChIKeyJCEBUBMKKAMMEB-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.40
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 75386775) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
PubChem CID75386775
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC NameN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13;/h3-10,15,18H,11,17H2,1-2H3;1H
InChIKeyJCEBUBMKKAMMEB-UHFFFAOYSA-N
XLogP2.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride (CID 75386775) is N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is JCEBUBMKKAMMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S.ClH/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13;/h3-10,15,18H,11,17H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 75386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).