4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide

C12H13F3N4O2S — CID 166300334

IUPAC4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(-n2nccn2)cc1)C(F)(F)F
InChIInChI=1S/C12H13F3N4O2S/c1-2-11(12(13,14)15)18-22(20,21)10-5-3-9(4-6-10)19-16-7-8-17-19/h3-8,11,18H,2H2,1H3/t11-/m1/s1
InChIKeyUASWGIISLCPHRW-LLVKDONJSA-N
MW334.32 g/mol
LogP1.89
Rot. Bonds5

About 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide

4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (PubChem CID 166300334) has the molecular formula C12H13F3N4O2S and a molecular weight of 334.32 g/mol. Its IUPAC name is 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
PubChem CID166300334
Molecular FormulaC12H13F3N4O2S
Molecular Weight334.32 g/mol
Exact Mass334.07
IUPAC Name4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(-n2nccn2)cc1)C(F)(F)F
InChIInChI=1S/C12H13F3N4O2S/c1-2-11(12(13,14)15)18-22(20,21)10-5-3-9(4-6-10)19-16-7-8-17-19/h3-8,11,18H,2H2,1H3/t11-/m1/s1
InChIKeyUASWGIISLCPHRW-LLVKDONJSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (CID 166300334) is 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is CC[C@@H](NS(=O)(=O)c1ccc(-n2nccn2)cc1)C(F)(F)F.
What is the InChIKey of 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The InChIKey is UASWGIISLCPHRW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3N4O2S/c1-2-11(12(13,14)15)18-22(20,21)10-5-3-9(4-6-10)19-16-7-8-17-19/h3-8,11,18H,2H2,1H3/t11-/m1/s1.
What are the key properties of 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide has a molecular weight of 334.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 166300334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).