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

C15H20N4O2S — CID 51079165

IUPACN-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20N4O2S/c20-22(21,18-8-3-9-19-12-16-11-17-19)15-7-6-13-4-1-2-5-14(13)10-15/h6-7,10-12,18H,1-5,8-9H2
InChIKeyRHMKIKOUHPQKTP-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.53
Rot. Bonds6

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

N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 51079165) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID51079165
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20N4O2S/c20-22(21,18-8-3-9-19-12-16-11-17-19)15-7-6-13-4-1-2-5-14(13)10-15/h6-7,10-12,18H,1-5,8-9H2
InChIKeyRHMKIKOUHPQKTP-UHFFFAOYSA-N
XLogP1.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-ethyl]-3,4-dimethyl-benzenesulfonamide
CID 6499845
N-(4H-1,2,4-triazol-4-yl)-2-naphthalenesulfonamide
CID 1477519
N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3130273
N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 51031051
4-methyl-N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]benzenesulfonamide
CID 60155733
4-Methyl-N-(2-[1,2,4]triazol-1-yl-propyl)-benzenesulfonamide
CID 6499838
N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
3,4-Dimethyl-N-(2-[1,2,4]triazol-1-yl-propyl)-benzenesulfonamide
CID 6499840
N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51079164
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 84597635
3,4-dimethyl-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15943547
3,4-dimethyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 16958279

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 51079165) is N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RHMKIKOUHPQKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-22(21,18-8-3-9-19-12-16-11-17-19)15-7-6-13-4-1-2-5-14(13)10-15/h6-7,10-12,18H,1-5,8-9H2.
What are the key properties of N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 51079165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).