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

C18H25ClN2O4S2 — CID 120895305

IUPACN-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-7-9-18(10-8-17)26(23,24)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-15,19H2,1H3;1H
InChIKeyMULYGNXFSALRJA-UHFFFAOYSA-N
MW433.00 g/mol
LogP1.85
Rot. Bonds9

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

N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895305) has the molecular formula C18H25ClN2O4S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895305
Molecular FormulaC18H25ClN2O4S2
Molecular Weight433.00 g/mol
Exact Mass432.09
IUPAC NameN-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-7-9-18(10-8-17)26(23,24)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-15,19H2,1H3;1H
InChIKeyMULYGNXFSALRJA-UHFFFAOYSA-N
XLogP1.85
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
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)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
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
N-(2-aminoethyl)-3-methoxy-4-nitro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895647

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895305) is N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is MULYGNXFSALRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-7-9-18(10-8-17)26(23,24)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-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).