3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H17F3N6O2S — CID 118266354

IUPAC3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)10-6-5-9(7-1-3-8(18)4-2-7)11(12(10)26(19,24)25)13-20-22-23-21-13/h5-8H,1-4,18H2,(H2,19,24,25)(H,20,21,22,23)
InChIKeyQLFUPIPMVYHNSD-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.52
Rot. Bonds3

About 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266354) has the molecular formula C14H17F3N6O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266354
Molecular FormulaC14H17F3N6O2S
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)10-6-5-9(7-1-3-8(18)4-2-7)11(12(10)26(19,24)25)13-20-22-23-21-13/h5-8H,1-4,18H2,(H2,19,24,25)(H,20,21,22,23)
InChIKeyQLFUPIPMVYHNSD-UHFFFAOYSA-N
XLogP1.52
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266354) is 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NC1CCC(c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QLFUPIPMVYHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2S/c15-14(16,17)10-6-5-9(7-1-3-8(18)4-2-7)11(12(10)26(19,24)25)13-20-22-23-21-13/h5-8H,1-4,18H2,(H2,19,24,25)(H,20,21,22,23).
What are the key properties of 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).