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

C16H20N6O3S — CID 118257337

IUPAC3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1-c1nn[nH]n1
InChIInChI=1S/C16H20N6O3S/c17-26(24,25)13-5-1-4-12(14(13)15-18-20-21-19-15)11-3-2-8-22(9-11)16(23)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H2,17,24,25)(H,18,19,20,21)
InChIKeyNDNNLOSROKRSPD-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.63
Rot. Bonds4

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

3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257337) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257337
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1-c1nn[nH]n1
InChIInChI=1S/C16H20N6O3S/c17-26(24,25)13-5-1-4-12(14(13)15-18-20-21-19-15)11-3-2-8-22(9-11)16(23)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H2,17,24,25)(H,18,19,20,21)
InChIKeyNDNNLOSROKRSPD-UHFFFAOYSA-N
XLogP0.63
TPSA134.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257337) is 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is NDNNLOSROKRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c17-26(24,25)13-5-1-4-12(14(13)15-18-20-21-19-15)11-3-2-8-22(9-11)16(23)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H2,17,24,25)(H,18,19,20,21).
What are the key properties of 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).