N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C18H25ClN2O3S — CID 120895906

IUPACN-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCOCc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-23-15-17-7-9-18(10-8-17)24(21,22)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-15,19H2,1H3;1H
InChIKeyPTNRXRLPQTXBMC-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.45
Rot. Bonds9

About N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895906) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895906
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC NameN-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCOCc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-23-15-17-7-9-18(10-8-17)24(21,22)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-15,19H2,1H3;1H
InChIKeyPTNRXRLPQTXBMC-UHFFFAOYSA-N
XLogP2.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-3-methoxy-4-nitro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895647
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
CID 120895258
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
CID 120895713
N-(2-aminoethyl)-N-(2-phenylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120895889
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895906) is N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is COCc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is PTNRXRLPQTXBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-23-15-17-7-9-18(10-8-17)24(21,22)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-15,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).