2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine

C12H10N6O2S — CID 122694084

IUPAC2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12/h2-7H,1H3,(H,15,16,17,18)
InChIKeyMWIBONVDTFAVLX-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.73
Rot. Bonds3

About 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine

2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine (PubChem CID 122694084) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
PubChem CID122694084
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12/h2-7H,1H3,(H,15,16,17,18)
InChIKeyMWIBONVDTFAVLX-UHFFFAOYSA-N
XLogP0.73
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
CID 122694122
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
CID 122694319
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 122694487
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The IUPAC name of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine (CID 122694084) is 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine is CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.
What is the InChIKey of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The InChIKey is MWIBONVDTFAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12/h2-7H,1H3,(H,15,16,17,18).
What are the key properties of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine?
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine has a molecular weight of 302.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 122694084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).