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

C18H20ClN3O2S — CID 120722480

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1C#N.Cl
InChIInChI=1S/C18H19N3O2S.ClH/c1-12-4-2-7-18(16(12)11-19)24(22,23)21-17-6-3-5-13-10-14(20)8-9-15(13)17;/h2,4,7-10,17,21H,3,5-6,20H2,1H3;1H
InChIKeyVYIHRORYXFBZJB-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.23
Rot. Bonds3

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 120722480) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
PubChem CID120722480
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1C#N.Cl
InChIInChI=1S/C18H19N3O2S.ClH/c1-12-4-2-7-18(16(12)11-19)24(22,23)21-17-6-3-5-13-10-14(20)8-9-15(13)17;/h2,4,7-10,17,21H,3,5-6,20H2,1H3;1H
InChIKeyVYIHRORYXFBZJB-UHFFFAOYSA-N
XLogP3.23
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride (CID 120722480) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1C#N.Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VYIHRORYXFBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S.ClH/c1-12-4-2-7-18(16(12)11-19)24(22,23)21-17-6-3-5-13-10-14(20)8-9-15(13)17;/h2,4,7-10,17,21H,3,5-6,20H2,1H3;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).