N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H21NO3S — CID 90553257

IUPACN-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccccc1C#CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO3S/c1-24-20-11-5-4-8-17(20)10-6-14-21-25(22,23)19-13-12-16-7-2-3-9-18(16)15-19/h4-5,8,11-13,15,21H,2-3,7,9,14H2,1H3
InChIKeyJIDTWHFBLXFJSA-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.90
Rot. Bonds4

About N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90553257) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90553257
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccccc1C#CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO3S/c1-24-20-11-5-4-8-17(20)10-6-14-21-25(22,23)19-13-12-16-7-2-3-9-18(16)15-19/h4-5,8,11-13,15,21H,2-3,7,9,14H2,1H3
InChIKeyJIDTWHFBLXFJSA-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553202
3,5-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553263
N-[4-(2-fluorophenoxy)but-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90574708
N-[3-(2-methoxyphenyl)prop-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90553249
N-[3-(2-methoxyphenyl)prop-2-ynyl]-2,4,6-trimethylbenzenesulfonamide
CID 90553206
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
4-methoxy-3-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553985
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90576066
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90553257) is N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1ccccc1C#CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JIDTWHFBLXFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-24-20-11-5-4-8-17(20)10-6-14-21-25(22,23)19-13-12-16-7-2-3-9-18(16)15-19/h4-5,8,11-13,15,21H,2-3,7,9,14H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90553257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).