3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H16F3N5O2S — CID 118257033

IUPAC3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)10-7-6-9(8-4-2-1-3-5-8)11(12(10)25(18,23)24)13-19-21-22-20-13/h6-8H,1-5H2,(H2,18,23,24)(H,19,20,21,22)
InChIKeyKEMBFYIRAFMFMT-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.58
Rot. Bonds3

About 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257033) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118257033
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)10-7-6-9(8-4-2-1-3-5-8)11(12(10)25(18,23)24)13-19-21-22-20-13/h6-8H,1-5H2,(H2,18,23,24)(H,19,20,21,22)
InChIKeyKEMBFYIRAFMFMT-UHFFFAOYSA-N
XLogP2.58
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118257033) is 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCCCC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KEMBFYIRAFMFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c15-14(16,17)10-7-6-9(8-4-2-1-3-5-8)11(12(10)25(18,23)24)13-19-21-22-20-13/h6-8H,1-5H2,(H2,18,23,24)(H,19,20,21,22).
What are the key properties of 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).