3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

C19H24N6O4S — CID 134823493

IUPAC3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)c1C1NNNN1
InChIInChI=1S/C19H24N6O4S/c20-30(28,29)16-3-1-2-15(17(16)18-21-23-24-22-18)12-4-6-13(7-5-12)19(27)25-10-8-14(26)9-11-25/h1-7,14,18,21-24,26H,8-11H2,(H2,20,28,29)
InChIKeyYEMYUZZWMIYEJN-UHFFFAOYSA-N
MW432.51 g/mol
LogP-0.29
Rot. Bonds4

About 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823493) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823493
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)c1C1NNNN1
InChIInChI=1S/C19H24N6O4S/c20-30(28,29)16-3-1-2-15(17(16)18-21-23-24-22-18)12-4-6-13(7-5-12)19(27)25-10-8-14(26)9-11-25/h1-7,14,18,21-24,26H,8-11H2,(H2,20,28,29)
InChIKeyYEMYUZZWMIYEJN-UHFFFAOYSA-N
XLogP-0.29
TPSA148.82 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823491
3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823489
3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823533
2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823541
[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 166839631
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
[4-(4-fluoro-3-methylphenyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 70288816
1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
CID 169415725
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129160685

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823493) is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)c1C1NNNN1.
What is the InChIKey of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is YEMYUZZWMIYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c20-30(28,29)16-3-1-2-15(17(16)18-21-23-24-22-18)12-4-6-13(7-5-12)19(27)25-10-8-14(26)9-11-25/h1-7,14,18,21-24,26H,8-11H2,(H2,20,28,29).
What are the key properties of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of -0.29, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).