4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C12H11N7O3S — CID 118265340

IUPAC4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H11N7O3S/c13-23(21,22)12-10(11-16-18-19-17-11)9(3-4-14-12)7-1-2-8(6-20)15-5-7/h1-5,20H,6H2,(H2,13,21,22)(H,16,17,18,19)
InChIKeyXUCNGCHWHUZOIZ-UHFFFAOYSA-N
MW333.33 g/mol
LogP-0.54
Rot. Bonds4

About 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265340) has the molecular formula C12H11N7O3S and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265340
Molecular FormulaC12H11N7O3S
Molecular Weight333.33 g/mol
Exact Mass333.06
IUPAC Name4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H11N7O3S/c13-23(21,22)12-10(11-16-18-19-17-11)9(3-4-14-12)7-1-2-8(6-20)15-5-7/h1-5,20H,6H2,(H2,13,21,22)(H,16,17,18,19)
InChIKeyXUCNGCHWHUZOIZ-UHFFFAOYSA-N
XLogP-0.54
TPSA160.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
5-(4-(Hydroxymethyl)phenyl)-4-(1H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[4-[4-methylsulfonyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 122694148
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]methanol
CID 122694233
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
CID 122694256
[4-[4-aminosulfanyl-3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methanol
CID 144893540
N,N'-diamino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide
CID 144893729
N'-amino-2-aminosulfanyl-4-[6-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboximidamide
CID 144893834

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265340) is 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is XUCNGCHWHUZOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O3S/c13-23(21,22)12-10(11-16-18-19-17-11)9(3-4-14-12)7-1-2-8(6-20)15-5-7/h1-5,20H,6H2,(H2,13,21,22)(H,16,17,18,19).
What are the key properties of 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 333.33 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).