N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride

C18H20ClN3O3S — CID 120876321

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(C#N)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C18H19N3O3S.ClH/c1-24-17-9-12(11-19)5-8-18(17)25(22,23)21-16-4-2-3-13-10-14(20)6-7-15(13)16;/h5-10,16,21H,2-4,20H2,1H3;1H
InChIKeyCCPASIBGMVUXCJ-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.93
Rot. Bonds4

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120876321) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID120876321
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(C#N)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C18H19N3O3S.ClH/c1-24-17-9-12(11-19)5-8-18(17)25(22,23)21-16-4-2-3-13-10-14(20)6-7-15(13)16;/h5-10,16,21H,2-4,20H2,1H3;1H
InChIKeyCCPASIBGMVUXCJ-UHFFFAOYSA-N
XLogP2.93
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 120722399
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120722480
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]thiophene-2-carboxylate
CID 120722107
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)-4-chloro-2-methylbenzenesulfonamide
CID 120722412
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120722427
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
4-methoxy-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dimethylbenzenesulfonamide
CID 100753581
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
CID 120722180
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride (CID 120876321) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride is COc1cc(C#N)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is CCPASIBGMVUXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S.ClH/c1-24-17-9-12(11-19)5-8-18(17)25(22,23)21-16-4-2-3-13-10-14(20)6-7-15(13)16;/h5-10,16,21H,2-4,20H2,1H3;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-cyano-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120876321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).