3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

C13H16N6O3S — CID 134823517

IUPAC3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1C1NNNN1
InChIInChI=1S/C13H16N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-15-9(6-8)7-20/h1-6,13,16-20H,7H2,(H2,14,21,22)
InChIKeyUFJDVIMMVZXKEE-UHFFFAOYSA-N
MW336.38 g/mol
LogP-1.00
Rot. Bonds4

About 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823517) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823517
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC Name3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1C1NNNN1
InChIInChI=1S/C13H16N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-15-9(6-8)7-20/h1-6,13,16-20H,7H2,(H2,14,21,22)
InChIKeyUFJDVIMMVZXKEE-UHFFFAOYSA-N
XLogP-1.00
TPSA141.40 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
3-pyridin-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823518
4-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823554
3-(6-(Hydroxymethyl)pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823584
US10227331, Example 145
CID 135150294
[2-[4-(Methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-2-yl]phenyl]methanol
CID 57522598
N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
CID 67604596
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
CID 122694256
N'-amino-2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 123199347
Buta-1,3-diene;[4-(2-ethenyl-3-methyl-4-phenylpyrrol-1-yl)sulfonylphenyl]-(piperidin-1-ylamino)methanol
CID 143075710
Hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 144893358

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823517) is 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1C1NNNN1.
What is the InChIKey of 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is UFJDVIMMVZXKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c14-23(21,22)11-3-1-2-10(12(11)13-16-18-19-17-13)8-4-5-15-9(6-8)7-20/h1-6,13,16-20H,7H2,(H2,14,21,22).
What are the key properties of 3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 336.38 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-[2-(hydroxymethyl)-4-pyridinyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).