N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide

C16H22N4O2S — CID 86804583

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NCc2nnc(C3CCC3)n2C)c1
InChIInChI=1S/C16H22N4O2S/c1-3-12-6-4-9-14(10-12)23(21,22)17-11-15-18-19-16(20(15)2)13-7-5-8-13/h4,6,9-10,13,17H,3,5,7-8,11H2,1-2H3
InChIKeyJHJGDMOEPUXZOF-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.12
Rot. Bonds6

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide (PubChem CID 86804583) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide
PubChem CID86804583
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NCc2nnc(C3CCC3)n2C)c1
InChIInChI=1S/C16H22N4O2S/c1-3-12-6-4-9-14(10-12)23(21,22)17-11-15-18-19-16(20(15)2)13-7-5-8-13/h4,6,9-10,13,17H,3,5,7-8,11H2,1-2H3
InChIKeyJHJGDMOEPUXZOF-UHFFFAOYSA-N
XLogP2.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide
CID 91661972
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
(2S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
CID 124848461
cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine
CID 99634981
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 86789085
N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 131945022
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-ethyl-3-[[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)amino]methyl]benzenesulfonamide
CID 154787187
1-cyclobutyl-2-[[3-(ethylsulfamoyl)phenyl]methyl]guanidine
CID 122098577

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide (CID 86804583) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)NCc2nnc(C3CCC3)n2C)c1.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide?
The InChIKey is JHJGDMOEPUXZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-12-6-4-9-14(10-12)23(21,22)17-11-15-18-19-16(20(15)2)13-7-5-8-13/h4,6,9-10,13,17H,3,5,7-8,11H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide is sourced from PubChem (CID 86804583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).