N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide

C15H20N4O3S — CID 95975753

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCn1cnnc1-c1ccccc1NS(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C15H20N4O3S/c1-19-11-16-17-15(19)13-6-2-3-7-14(13)18-23(20,21)10-8-12-5-4-9-22-12/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3/t12-/m1/s1
InChIKeyGPDYUUFAYVVMLA-GFCCVEGCSA-N
MW336.42 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide (PubChem CID 95975753) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
PubChem CID95975753
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCn1cnnc1-c1ccccc1NS(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C15H20N4O3S/c1-19-11-16-17-15(19)13-6-2-3-7-14(13)18-23(20,21)10-8-12-5-4-9-22-12/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3/t12-/m1/s1
InChIKeyGPDYUUFAYVVMLA-GFCCVEGCSA-N
XLogP1.79
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide with MolForge

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Related Compounds

1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 82834712
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
CID 71969884
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71918656
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide (CID 95975753) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide is Cn1cnnc1-c1ccccc1NS(=O)(=O)CC[C@H]1CCCO1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is GPDYUUFAYVVMLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-19-11-16-17-15(19)13-6-2-3-7-14(13)18-23(20,21)10-8-12-5-4-9-22-12/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 95975753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).