N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

C18H21NO4S2 — CID 42896930

IUPACN-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCN(C1CCCc2ccccc21)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S2/c1-19(18-9-5-7-14-6-3-4-8-17(14)18)25(22,23)16-12-10-15(11-13-16)24(2,20)21/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3
InChIKeyISNAUXGBPGPOLF-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 42896930) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID42896930
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC NameN-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCN(C1CCCc2ccccc21)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S2/c1-19(18-9-5-7-14-6-3-4-8-17(14)18)25(22,23)16-12-10-15(11-13-16)24(2,20)21/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3
InChIKeyISNAUXGBPGPOLF-UHFFFAOYSA-N
XLogP2.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.79
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
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
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-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 42896930) is N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is CN(C1CCCc2ccccc21)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is ISNAUXGBPGPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-19(18-9-5-7-14-6-3-4-8-17(14)18)25(22,23)16-12-10-15(11-13-16)24(2,20)21/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 379.50 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 42896930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).