4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C18H19F2NO4S2 — CID 34041667

IUPAC4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO4S2/c1-21(17-8-4-6-13-5-2-3-7-16(13)17)27(24,25)15-11-9-14(10-12-15)26(22,23)18(19)20/h2-3,5,7,9-12,17-18H,4,6,8H2,1H3/t17-/m1/s1
InChIKeyLAWFYCPYSYVQEG-QGZVFWFLSA-N
MW415.48 g/mol
LogP3.38
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 34041667) has the molecular formula C18H19F2NO4S2 and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID34041667
Molecular FormulaC18H19F2NO4S2
Molecular Weight415.48 g/mol
Exact Mass415.07
IUPAC Name4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO4S2/c1-21(17-8-4-6-13-5-2-3-7-16(13)17)27(24,25)15-11-9-14(10-12-15)26(22,23)18(19)20/h2-3,5,7,9-12,17-18H,4,6,8H2,1H3/t17-/m1/s1
InChIKeyLAWFYCPYSYVQEG-QGZVFWFLSA-N
XLogP3.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55534372
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 43049567
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 34041667) is 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is LAWFYCPYSYVQEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F2NO4S2/c1-21(17-8-4-6-13-5-2-3-7-16(13)17)27(24,25)15-11-9-14(10-12-15)26(22,23)18(19)20/h2-3,5,7,9-12,17-18H,4,6,8H2,1H3/t17-/m1/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 34041667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).