4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide

C7H12F3N5O2S — CID 83057927

IUPAC4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H12F3N5O2S/c1-5(6-11-14-15-12-6)13-18(16,17)4-2-3-7(8,9)10/h5,13H,2-4H2,1H3,(H,11,12,14,15)
InChIKeyDKEYYGODJDSNBN-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.52
Rot. Bonds6

About 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide (PubChem CID 83057927) has the molecular formula C7H12F3N5O2S and a molecular weight of 287.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide
PubChem CID83057927
Molecular FormulaC7H12F3N5O2S
Molecular Weight287.27 g/mol
Exact Mass287.07
IUPAC Name4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H12F3N5O2S/c1-5(6-11-14-15-12-6)13-18(16,17)4-2-3-7(8,9)10/h5,13H,2-4H2,1H3,(H,11,12,14,15)
InChIKeyDKEYYGODJDSNBN-UHFFFAOYSA-N
XLogP0.52
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide (CID 83057927) is 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide is CC(NS(=O)(=O)CCCC(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide?
The InChIKey is DKEYYGODJDSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O2S/c1-5(6-11-14-15-12-6)13-18(16,17)4-2-3-7(8,9)10/h5,13H,2-4H2,1H3,(H,11,12,14,15).
What are the key properties of 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide has a molecular weight of 287.27 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 83057927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).