5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide

C7H10BrF3N4O3S — CID 106467538

IUPAC5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10BrF3N4O3S/c1-14-6(5(8)12-13-14)19(17,18)15(2-3-16)4-7(9,10)11/h16H,2-4H2,1H3
InChIKeyVGSWBPXLJDTFFY-UHFFFAOYSA-N
MW367.15 g/mol
LogP0.12
Rot. Bonds5

About 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide

5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide (PubChem CID 106467538) has the molecular formula C7H10BrF3N4O3S and a molecular weight of 367.15 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
PubChem CID106467538
Molecular FormulaC7H10BrF3N4O3S
Molecular Weight367.15 g/mol
Exact Mass365.96
IUPAC Name5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10BrF3N4O3S/c1-14-6(5(8)12-13-14)19(17,18)15(2-3-16)4-7(9,10)11/h16H,2-4H2,1H3
InChIKeyVGSWBPXLJDTFFY-UHFFFAOYSA-N
XLogP0.12
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106466016
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592
5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467709
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
5-bromo-3-methyl-N-prop-2-enyl-N-propyltriazole-4-sulfonamide
CID 106468130
methyl 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-propylamino]acetate
CID 106467198
5-bromo-N-(2-cyanoethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106466354
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 106467757
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 106467501
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
5-bromo-N,3-dimethyl-N-pent-4-enyltriazole-4-sulfonamide
CID 106468229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide (CID 106467538) is 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The InChIKey is VGSWBPXLJDTFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF3N4O3S/c1-14-6(5(8)12-13-14)19(17,18)15(2-3-16)4-7(9,10)11/h16H,2-4H2,1H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide has a molecular weight of 367.15 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).