N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H24N4O3S — CID 53090291

IUPACN-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccc(-c2n[nH]c(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-18-9-6-16(7-10-18)21-23-20(24-25-21)12-13-22-29(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-11,14,22H,2-5,12-13H2,1H3,(H,23,24,25)
InChIKeyKZZUAZSLNSPICG-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 53090291) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID53090291
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccc(-c2n[nH]c(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-18-9-6-16(7-10-18)21-23-20(24-25-21)12-13-22-29(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-11,14,22H,2-5,12-13H2,1H3,(H,23,24,25)
InChIKeyKZZUAZSLNSPICG-UHFFFAOYSA-N
XLogP2.88
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53090292
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16826007
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 53090258
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609012
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 53090390
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
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-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 53090291) is N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1ccc(-c2n[nH]c(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KZZUAZSLNSPICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-28-18-9-6-16(7-10-18)21-23-20(24-25-21)12-13-22-29(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-11,14,22H,2-5,12-13H2,1H3,(H,23,24,25).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 53090291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).