2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide

C9H16BrN5O3S — CID 106467501

IUPAC2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O3S/c1-4-11-7(16)6-15(5-2)19(17,18)9-8(10)12-13-14(9)3/h4-6H2,1-3H3,(H,11,16)
InChIKeyVBCDDGVMOIYISQ-UHFFFAOYSA-N
MW354.23 g/mol
LogP-0.28
Rot. Bonds6

About 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 106467501) has the molecular formula C9H16BrN5O3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID106467501
Molecular FormulaC9H16BrN5O3S
Molecular Weight354.23 g/mol
Exact Mass353.02
IUPAC Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O3S/c1-4-11-7(16)6-15(5-2)19(17,18)9-8(10)12-13-14(9)3/h4-6H2,1-3H3,(H,11,16)
InChIKeyVBCDDGVMOIYISQ-UHFFFAOYSA-N
XLogP-0.28
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide (CID 106467501) is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is VBCDDGVMOIYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O3S/c1-4-11-7(16)6-15(5-2)19(17,18)9-8(10)12-13-14(9)3/h4-6H2,1-3H3,(H,11,16).
What are the key properties of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 354.23 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 106467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).