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

C18H21NO4S — CID 582683

IUPAC3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-17-11-10-14(12-18(17)23-2)24(20,21)19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,19H,5,7,9H2,1-2H3
InChIKeyHRONLZPIZTUJDJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.06
Rot. Bonds5

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

3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 582683) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID582683
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-17-11-10-14(12-18(17)23-2)24(20,21)19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,19H,5,7,9H2,1-2H3
InChIKeyHRONLZPIZTUJDJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 582683) is 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is HRONLZPIZTUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-17-11-10-14(12-18(17)23-2)24(20,21)19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,19H,5,7,9H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).