N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride

C16H23ClN2O2S — CID 120584320

IUPACN-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H22N2O2S.ClH/c1-2-3-10-21(19,20)18-16(12-17)15-9-8-13-6-4-5-7-14(13)11-15;/h4-9,11,16,18H,2-3,10,12,17H2,1H3;1H
InChIKeyVKOPECGGQZSIRF-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.98
Rot. Bonds7

About N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride (PubChem CID 120584320) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
PubChem CID120584320
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H22N2O2S.ClH/c1-2-3-10-21(19,20)18-16(12-17)15-9-8-13-6-4-5-7-14(13)11-15;/h4-9,11,16,18H,2-3,10,12,17H2,1H3;1H
InChIKeyVKOPECGGQZSIRF-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 120584336
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
CID 120584385
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
1-naphthalen-2-ylnonylhydrazine
CID 105213332
[1-(heptylsulfonylamino)-1-naphthalen-2-ylpropan-2-yl] dihydrogen phosphate
CID 18339872
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride (CID 120584320) is N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride is CCCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride?
The InChIKey is VKOPECGGQZSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S.ClH/c1-2-3-10-21(19,20)18-16(12-17)15-9-8-13-6-4-5-7-14(13)11-15;/h4-9,11,16,18H,2-3,10,12,17H2,1H3;1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120584320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).