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

C13H12N6O4S2 — CID 118266177

IUPAC3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H12N6O4S2/c1-24(20,21)11-6-5-8(7-15-11)9-3-2-4-10(25(14,22)23)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,22,23)(H,16,17,18,19)
InChIKeyFVUHOKRZIOIBNA-UHFFFAOYSA-N
MW380.41 g/mol
LogP-0.02
Rot. Bonds4

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

3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266177) has the molecular formula C13H12N6O4S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266177
Molecular FormulaC13H12N6O4S2
Molecular Weight380.41 g/mol
Exact Mass380.04
IUPAC Name3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H12N6O4S2/c1-24(20,21)11-6-5-8(7-15-11)9-3-2-4-10(25(14,22)23)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,22,23)(H,16,17,18,19)
InChIKeyFVUHOKRZIOIBNA-UHFFFAOYSA-N
XLogP-0.02
TPSA161.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266177) is 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is FVUHOKRZIOIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O4S2/c1-24(20,21)11-6-5-8(7-15-11)9-3-2-4-10(25(14,22)23)12(9)13-16-18-19-17-13/h2-7H,1H3,(H2,14,22,23)(H,16,17,18,19).
What are the key properties of 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 380.41 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).