4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C14H15N7O2S — CID 118266122

IUPAC4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(NCCc2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c15-24(22,23)14-12(13-18-20-21-19-13)11(7-9-17-14)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H2,15,22,23)(H,18,19,20,21)
InChIKeyWNNGHLLVVCRYSR-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.56
Rot. Bonds6

About 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266122) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266122
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(NCCc2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c15-24(22,23)14-12(13-18-20-21-19-13)11(7-9-17-14)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H2,15,22,23)(H,18,19,20,21)
InChIKeyWNNGHLLVVCRYSR-UHFFFAOYSA-N
XLogP0.56
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266122) is 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(NCCc2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is WNNGHLLVVCRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c15-24(22,23)14-12(13-18-20-21-19-13)11(7-9-17-14)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H2,15,22,23)(H,18,19,20,21).
What are the key properties of 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 345.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).