N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide

C11H9N7O2S — CID 856008

IUPACN-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H9N7O2S/c19-21(20,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)18-8-14-16-17-18/h1-8H,(H,12,13,15)
InChIKeyWMWGUKFIMRWPTD-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.25
Rot. Bonds4

About N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide

N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 856008) has the molecular formula C11H9N7O2S and a molecular weight of 303.31 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID856008
Molecular FormulaC11H9N7O2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC NameN-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H9N7O2S/c19-21(20,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)18-8-14-16-17-18/h1-8H,(H,12,13,15)
InChIKeyWMWGUKFIMRWPTD-UHFFFAOYSA-N
XLogP0.25
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide (CID 856008) is N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is WMWGUKFIMRWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2S/c19-21(20,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)18-8-14-16-17-18/h1-8H,(H,12,13,15).
What are the key properties of N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 303.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 856008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).