3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C18H22F3N7O2S — CID 134823717

IUPAC3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)nc2)c1C1NNNN1
InChIInChI=1S/C18H22F3N7O2S/c19-18(20,21)13-3-2-12(15(16(13)31(22,29)30)17-25-27-28-26-17)11-1-4-14(24-9-11)10-5-7-23-8-6-10/h1-4,9-10,17,23,25-28H,5-8H2,(H2,22,29,30)
InChIKeyPEJABGWJOAXLDD-UHFFFAOYSA-N
MW457.48 g/mol
LogP1.00
Rot. Bonds4

About 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823717) has the molecular formula C18H22F3N7O2S and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823717
Molecular FormulaC18H22F3N7O2S
Molecular Weight457.48 g/mol
Exact Mass457.15
IUPAC Name3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)nc2)c1C1NNNN1
InChIInChI=1S/C18H22F3N7O2S/c19-18(20,21)13-3-2-12(15(16(13)31(22,29)30)17-25-27-28-26-17)11-1-4-14(24-9-11)10-5-7-23-8-6-10/h1-4,9-10,17,23,25-28H,5-8H2,(H2,22,29,30)
InChIKeyPEJABGWJOAXLDD-UHFFFAOYSA-N
XLogP1.00
TPSA133.20 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 51.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166490727
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)quinoline 1-oxide
CID 134823641
3-(Isoquinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823642
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)isoquinoline 2-oxide
CID 134823643
3-(4-{[(6-aminopyridin-3-yl)methyl]amino}cyclohex-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzene sulfonamide
CID 134823678
3-pyrazolo[1,5-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823683
3-(4-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823720
3-(1-aminoisoquinolin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823724
3''-(2-aminopyrimidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)biphenyl-3-sulfonamdie
CID 134823726
3-(6-amino-3-pyridyl)-6-(4-piperidylmethyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(6-fluoropyridin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823483

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823717) is 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)nc2)c1C1NNNN1.
What is the InChIKey of 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PEJABGWJOAXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O2S/c19-18(20,21)13-3-2-12(15(16(13)31(22,29)30)17-25-27-28-26-17)11-1-4-14(24-9-11)10-5-7-23-8-6-10/h1-4,9-10,17,23,25-28H,5-8H2,(H2,22,29,30).
What are the key properties of 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 457.48 g/mol, XLogP of 1.00, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-4-yl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).