2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide

C8H14BrN5O3S — CID 106467617

IUPAC2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrN5O3S/c1-4-10-7(15)5(2)12-18(16,17)8-6(9)11-13-14(8)3/h5,12H,4H2,1-3H3,(H,10,15)
InChIKeyCUZHYXUNYJNXCT-UHFFFAOYSA-N
MW340.20 g/mol
LogP-0.62
Rot. Bonds5

About 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide

2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide (PubChem CID 106467617) has the molecular formula C8H14BrN5O3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide
PubChem CID106467617
Molecular FormulaC8H14BrN5O3S
Molecular Weight340.20 g/mol
Exact Mass339.00
IUPAC Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H14BrN5O3S/c1-4-10-7(15)5(2)12-18(16,17)8-6(9)11-13-14(8)3/h5,12H,4H2,1-3H3,(H,10,15)
InChIKeyCUZHYXUNYJNXCT-UHFFFAOYSA-N
XLogP-0.62
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]pentanedioic acid
CID 106465762
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]pent-4-ynoic acid
CID 106466120
5-bromo-N-hexan-3-yl-3-methyltriazole-4-sulfonamide
CID 103354548
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 107823966
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 106467501
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-N-(1-chloro-4-methylpentan-3-yl)-3-methyltriazole-4-sulfonamide
CID 106356450
5-bromo-N-(3-hydroxybutyl)-3-methyltriazole-4-sulfonamide
CID 106466835
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide (CID 106467617) is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is CUZHYXUNYJNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5O3S/c1-4-10-7(15)5(2)12-18(16,17)8-6(9)11-13-14(8)3/h5,12H,4H2,1-3H3,(H,10,15).
What are the key properties of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide?
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 340.20 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 106467617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).