N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

C18H23ClN2O2S — CID 120721901

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NC2CCCc3cc(N)ccc32)c1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-13-4-2-5-14(10-13)12-23(21,22)20-18-7-3-6-15-11-16(19)8-9-17(15)18;/h2,4-5,8-11,18,20H,3,6-7,12,19H2,1H3;1H
InChIKeyBGLRDQTZDCLECF-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.50
Rot. Bonds4

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (PubChem CID 120721901) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
PubChem CID120721901
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NC2CCCc3cc(N)ccc32)c1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-13-4-2-5-14(10-13)12-23(21,22)20-18-7-3-6-15-11-16(19)8-9-17(15)18;/h2,4-5,8-11,18,20H,3,6-7,12,19H2,1H3;1H
InChIKeyBGLRDQTZDCLECF-UHFFFAOYSA-N
XLogP3.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate
CID 120722237
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 120722112
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110399988
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate;hydrochloride
CID 120722252
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876305
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120722385
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (CID 120721901) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is Cc1cccc(CS(=O)(=O)NC2CCCc3cc(N)ccc32)c1.Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is BGLRDQTZDCLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-13-4-2-5-14(10-13)12-23(21,22)20-18-7-3-6-15-11-16(19)8-9-17(15)18;/h2,4-5,8-11,18,20H,3,6-7,12,19H2,1H3;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120721901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).