N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride

C18H22ClN3O4S — CID 120722333

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C18H21N3O4S.ClH/c1-11-8-15(21(22)23)9-12(2)18(11)26(24,25)20-17-5-3-4-13-10-14(19)6-7-16(13)17;/h6-10,17,20H,3-5,19H2,1-2H3;1H
InChIKeyPEPHWFRWOFIJIS-UHFFFAOYSA-N
MW411.91 g/mol
LogP3.57
Rot. Bonds4

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 120722333) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID120722333
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C18H21N3O4S.ClH/c1-11-8-15(21(22)23)9-12(2)18(11)26(24,25)20-17-5-3-4-13-10-14(19)6-7-16(13)17;/h6-10,17,20H,3-5,19H2,1-2H3;1H
InChIKeyPEPHWFRWOFIJIS-UHFFFAOYSA-N
XLogP3.57
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988
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)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
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)-2,5-dimethylbenzenesulfonamide
CID 120722095
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)-4-chloro-2-methylbenzenesulfonamide
CID 120722412
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
CID 120722247
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)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride (CID 120722333) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride is Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is PEPHWFRWOFIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S.ClH/c1-11-8-15(21(22)23)9-12(2)18(11)26(24,25)20-17-5-3-4-13-10-14(19)6-7-16(13)17;/h6-10,17,20H,3-5,19H2,1-2H3;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 411.91 g/mol, XLogP of 3.57, 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)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).