4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H19N7O3S — CID 118266079

IUPAC4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(O)C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C13H19N7O3S/c1-8(21)9-3-6-20(7-4-9)10-2-5-15-13(24(14,22)23)11(10)12-16-18-19-17-12/h2,5,8-9,21H,3-4,6-7H2,1H3,(H2,14,22,23)(H,16,17,18,19)
InChIKeyQAPREUKJFPMJII-UHFFFAOYSA-N
MW353.41 g/mol
LogP-0.49
Rot. Bonds4

About 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266079) has the molecular formula C13H19N7O3S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266079
Molecular FormulaC13H19N7O3S
Molecular Weight353.41 g/mol
Exact Mass353.13
IUPAC Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(O)C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C13H19N7O3S/c1-8(21)9-3-6-20(7-4-9)10-2-5-15-13(24(14,22)23)11(10)12-16-18-19-17-12/h2,5,8-9,21H,3-4,6-7H2,1H3,(H2,14,22,23)(H,16,17,18,19)
InChIKeyQAPREUKJFPMJII-UHFFFAOYSA-N
XLogP-0.49
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266079) is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CC(O)C1CCN(c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.
What is the InChIKey of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is QAPREUKJFPMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3S/c1-8(21)9-3-6-20(7-4-9)10-2-5-15-13(24(14,22)23)11(10)12-16-18-19-17-12/h2,5,8-9,21H,3-4,6-7H2,1H3,(H2,14,22,23)(H,16,17,18,19).
What are the key properties of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 353.41 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).