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

C18H20BrNO3S — CID 9301327

IUPAC5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H20BrNO3S/c1-20(16-9-5-7-13-6-3-4-8-15(13)16)24(21,22)18-12-14(19)10-11-17(18)23-2/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3/t16-/m0/s1
InChIKeyYIYPZHIKXASJQV-INIZCTEOSA-N
MW410.33 g/mol
LogP4.16
Rot. Bonds4

About 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 9301327) has the molecular formula C18H20BrNO3S and a molecular weight of 410.33 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID9301327
Molecular FormulaC18H20BrNO3S
Molecular Weight410.33 g/mol
Exact Mass409.03
IUPAC Name5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H20BrNO3S/c1-20(16-9-5-7-13-6-3-4-8-15(13)16)24(21,22)18-12-14(19)10-11-17(18)23-2/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3/t16-/m0/s1
InChIKeyYIYPZHIKXASJQV-INIZCTEOSA-N
XLogP4.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 6594947
3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51933237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 9301327) is 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCCc2ccccc21.
What is the InChIKey of 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is YIYPZHIKXASJQV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20BrNO3S/c1-20(16-9-5-7-13-6-3-4-8-15(13)16)24(21,22)18-12-14(19)10-11-17(18)23-2/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 9301327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).