N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide

C19H21F3N2O3S — CID 73204197

IUPACN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c2c1CC(N(C)C)CC2
InChIInChI=1S/C19H21F3N2O3S/c1-24(2)11-4-5-12-13(10-11)16(27-3)8-7-15(12)23-28(25,26)17-9-6-14(20)18(21)19(17)22/h6-9,11,23H,4-5,10H2,1-3H3
InChIKeyNUZZVPBZKXPDCK-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.33
Rot. Bonds5

About N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide

N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 73204197) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID73204197
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c2c1CC(N(C)C)CC2
InChIInChI=1S/C19H21F3N2O3S/c1-24(2)11-4-5-12-13(10-11)16(27-3)8-7-15(12)23-28(25,26)17-9-6-14(20)18(21)19(17)22/h6-9,11,23H,4-5,10H2,1-3H3
InChIKeyNUZZVPBZKXPDCK-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
CID 73204327
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 68956567
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 68955632
(6R)-6-(dimethylamino)-4-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 11999840
3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 15950213
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
CID 73204198
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924807
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68953815

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide (CID 73204197) is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c2c1CC(N(C)C)CC2.
What is the InChIKey of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is NUZZVPBZKXPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-24(2)11-4-5-12-13(10-11)16(27-3)8-7-15(12)23-28(25,26)17-9-6-14(20)18(21)19(17)22/h6-9,11,23H,4-5,10H2,1-3H3.
What are the key properties of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide?
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 73204197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).