3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H16N6O2S — CID 118266183

IUPAC3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCCCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C15H16N6O2S/c1-2-4-11-8-7-10(9-17-11)12-5-3-6-13(24(16,22)23)14(12)15-18-20-21-19-15/h3,5-9H,2,4H2,1H3,(H2,16,22,23)(H,18,19,20,21)
InChIKeyPMEUHDZNXKLIAD-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.53
Rot. Bonds5

About 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266183) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266183
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCCCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C15H16N6O2S/c1-2-4-11-8-7-10(9-17-11)12-5-3-6-13(24(16,22)23)14(12)15-18-20-21-19-15/h3,5-9H,2,4H2,1H3,(H2,16,22,23)(H,18,19,20,21)
InChIKeyPMEUHDZNXKLIAD-UHFFFAOYSA-N
XLogP1.53
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266183) is 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is CCCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is PMEUHDZNXKLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-4-11-8-7-10(9-17-11)12-5-3-6-13(24(16,22)23)14(12)15-18-20-21-19-15/h3,5-9H,2,4H2,1H3,(H2,16,22,23)(H,18,19,20,21).
What are the key properties of 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).