3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C22H24N6O3S — CID 118257361

IUPAC3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C22H24N6O3S/c23-32(30,31)18-8-4-7-17(19(18)20-24-26-27-25-20)15-9-13-28(14-10-15)21(29)22(11-12-22)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,23,30,31)(H,24,25,26,27)
InChIKeyKSDPOOMCMJUPCM-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.95
Rot. Bonds5

About 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257361) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257361
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C22H24N6O3S/c23-32(30,31)18-8-4-7-17(19(18)20-24-26-27-25-20)15-9-13-28(14-10-15)21(29)22(11-12-22)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,23,30,31)(H,24,25,26,27)
InChIKeyKSDPOOMCMJUPCM-UHFFFAOYSA-N
XLogP1.95
TPSA134.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257361) is 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is KSDPOOMCMJUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c23-32(30,31)18-8-4-7-17(19(18)20-24-26-27-25-20)15-9-13-28(14-10-15)21(29)22(11-12-22)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H2,23,30,31)(H,24,25,26,27).
What are the key properties of 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).