2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

C12H16N4O3S — CID 94638328

IUPAC2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C12H16N4O3S/c1-9(12-14-13-8-16(12)2)15-20(17,18)11-7-5-4-6-10(11)19-3/h4-9,15H,1-3H3/t9-/m1/s1
InChIKeyZUQDQJPVXRFJMZ-SECBINFHSA-N
MW296.35 g/mol
LogP0.86
Rot. Bonds5

About 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 94638328) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
PubChem CID94638328
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C12H16N4O3S/c1-9(12-14-13-8-16(12)2)15-20(17,18)11-7-5-4-6-10(11)19-3/h4-9,15H,1-3H3/t9-/m1/s1
InChIKeyZUQDQJPVXRFJMZ-SECBINFHSA-N
XLogP0.86
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62056450
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 62145827
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 164634288
2-amino-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62119723
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118697
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118702
4-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62116978
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
CID 138047798
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (CID 94638328) is 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)N[C@H](C)c1nncn1C.
What is the InChIKey of 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZUQDQJPVXRFJMZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9(12-14-13-8-16(12)2)15-20(17,18)11-7-5-4-6-10(11)19-3/h4-9,15H,1-3H3/t9-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 94638328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).