3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C19H23NO4S — CID 9301336

IUPAC3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C19H23NO4S/c1-20(17-10-6-8-14-7-4-5-9-16(14)17)25(21,22)15-11-12-18(23-2)19(13-15)24-3/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3/t17-/m0/s1
InChIKeyWKUKWNZNWSZHSH-KRWDZBQOSA-N
MW361.46 g/mol
LogP3.40
Rot. Bonds5

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

3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 9301336) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID9301336
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C19H23NO4S/c1-20(17-10-6-8-14-7-4-5-9-16(14)17)25(21,22)15-11-12-18(23-2)19(13-15)24-3/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3/t17-/m0/s1
InChIKeyWKUKWNZNWSZHSH-KRWDZBQOSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301327
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 53279937
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544264
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 9301336) is 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is WKUKWNZNWSZHSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-20(17-10-6-8-14-7-4-5-9-16(14)17)25(21,22)15-11-12-18(23-2)19(13-15)24-3/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3/t17-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 9301336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).