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

C19H22F2N2O3S — CID 73204327

IUPACN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2c1CC(N(C)C)CC2
InChIInChI=1S/C19H22F2N2O3S/c1-23(2)13-5-6-14-15(11-13)18(26-3)9-8-17(14)22-27(24,25)19-10-12(20)4-7-16(19)21/h4,7-10,13,22H,5-6,11H2,1-3H3
InChIKeyBDIGLNMZXQLCMY-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.19
Rot. Bonds5

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

N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 73204327) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
PubChem CID73204327
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2c1CC(N(C)C)CC2
InChIInChI=1S/C19H22F2N2O3S/c1-23(2)13-5-6-14-15(11-13)18(26-3)9-8-17(14)22-27(24,25)19-10-12(20)4-7-16(19)21/h4,7-10,13,22H,5-6,11H2,1-3H3
InChIKeyBDIGLNMZXQLCMY-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
CID 73204197
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
3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 15950213
(6R)-6-(dimethylamino)-4-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 11999840
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
CID 73204198
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68953815
8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924807
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide (CID 73204327) is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2c1CC(N(C)C)CC2.
What is the InChIKey of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is BDIGLNMZXQLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-23(2)13-5-6-14-15(11-13)18(26-3)9-8-17(14)22-27(24,25)19-10-12(20)4-7-16(19)21/h4,7-10,13,22H,5-6,11H2,1-3H3.
What are the key properties of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide?
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 3.19, 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]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 73204327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).