N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride

C17H23ClN2O3S — CID 120584192

IUPACN-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N(CCN)Cc2ccccc2)cc1C.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-14-12-16(8-9-17(14)22-2)23(20,21)19(11-10-18)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,18H2,1-2H3;1H
InChIKeyKPCDWERHIDXRGI-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.58
Rot. Bonds7

About N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 120584192) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
PubChem CID120584192
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N(CCN)Cc2ccccc2)cc1C.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-14-12-16(8-9-17(14)22-2)23(20,21)19(11-10-18)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,18H2,1-2H3;1H
InChIKeyKPCDWERHIDXRGI-UHFFFAOYSA-N
XLogP2.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-(2-aminoethyl)-N-benzyl-3-chloro-4-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120584247
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546834
N-(2-aminoethyl)-3-methoxy-4-nitro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895647
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
N-benzyl-4-methoxy-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2224050
N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 120584317
N-(2-aminoethyl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 120584242

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride (CID 120584192) is N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)N(CCN)Cc2ccccc2)cc1C.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is KPCDWERHIDXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S.ClH/c1-14-12-16(8-9-17(14)22-2)23(20,21)19(11-10-18)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,18H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120584192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).