2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide

C11H18N6O2S — CID 81341352

IUPAC2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1Cc1ncnn1C(C)C
InChIInChI=1S/C11H18N6O2S/c1-4-9-15-11(20(12,18)19)6-16(9)5-10-13-7-14-17(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,12,18,19)
InChIKeySUPBJTCTRWXOHI-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.31
Rot. Bonds5

About 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide

2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide (PubChem CID 81341352) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
PubChem CID81341352
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1Cc1ncnn1C(C)C
InChIInChI=1S/C11H18N6O2S/c1-4-9-15-11(20(12,18)19)6-16(9)5-10-13-7-14-17(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,12,18,19)
InChIKeySUPBJTCTRWXOHI-UHFFFAOYSA-N
XLogP0.31
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide (CID 81341352) is 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1Cc1ncnn1C(C)C.
What is the InChIKey of 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is SUPBJTCTRWXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-4-9-15-11(20(12,18)19)6-16(9)5-10-13-7-14-17(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,12,18,19).
What are the key properties of 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide?
2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81341352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).