N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide

C16H16Cl2N2O2S — CID 120721939

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2S/c17-13-4-2-6-15(16(13)18)23(21,22)20-14-5-1-3-10-9-11(19)7-8-12(10)14/h2,4,6-9,14,20H,1,3,5,19H2
InChIKeyPKVYBFNTJWKBPC-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.93
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide (PubChem CID 120721939) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
PubChem CID120721939
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2S/c17-13-4-2-6-15(16(13)18)23(21,22)20-14-5-1-3-10-9-11(19)7-8-12(10)14/h2,4,6-9,14,20H,1,3,5,19H2
InChIKeyPKVYBFNTJWKBPC-UHFFFAOYSA-N
XLogP3.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.93
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

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-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
CID 120722180
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120722144
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-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120722480
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)pyridine-3-sulfonamide
CID 116650196
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-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide (CID 120721939) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is PKVYBFNTJWKBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c17-13-4-2-6-15(16(13)18)23(21,22)20-14-5-1-3-10-9-11(19)7-8-12(10)14/h2,4,6-9,14,20H,1,3,5,19H2.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 371.29 g/mol, XLogP of 3.93, 3 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)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 120721939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).