5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide

C10H14BrF3N4O2S — CID 106467709

IUPAC5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H14BrF3N4O2S/c1-6(7-3-4-7)18(5-10(12,13)14)21(19,20)9-8(11)15-16-17(9)2/h6-7H,3-5H2,1-2H3
InChIKeyFUFDMOQQCVKJBX-UHFFFAOYSA-N
MW391.21 g/mol
LogP1.93
Rot. Bonds5

About 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide

5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide (PubChem CID 106467709) has the molecular formula C10H14BrF3N4O2S and a molecular weight of 391.21 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
PubChem CID106467709
Molecular FormulaC10H14BrF3N4O2S
Molecular Weight391.21 g/mol
Exact Mass390.00
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H14BrF3N4O2S/c1-6(7-3-4-7)18(5-10(12,13)14)21(19,20)9-8(11)15-16-17(9)2/h6-7H,3-5H2,1-2H3
InChIKeyFUFDMOQQCVKJBX-UHFFFAOYSA-N
XLogP1.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467538
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61456259
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106466016
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64585947
N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60983851
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467722
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-(cyclopropylmethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106608681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide (CID 106467709) is 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
The InChIKey is FUFDMOQQCVKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N4O2S/c1-6(7-3-4-7)18(5-10(12,13)14)21(19,20)9-8(11)15-16-17(9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide?
5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide has a molecular weight of 391.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide is sourced from PubChem (CID 106467709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).