4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine

C13H13N7O2S — CID 122694139

IUPAC4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
SMILESCS(=O)(=O)c1cccc(-c2cc(N)nc(N)c2)c1-c1nn[nH]n1
InChIInChI=1S/C13H13N7O2S/c1-23(21,22)9-4-2-3-8(12(9)13-17-19-20-18-13)7-5-10(14)16-11(15)6-7/h2-6H,1H3,(H4,14,15,16)(H,17,18,19,20)
InChIKeyDBJDMALUWUPSLC-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.50
Rot. Bonds3

About 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine

4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine (PubChem CID 122694139) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
PubChem CID122694139
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
SMILESCS(=O)(=O)c1cccc(-c2cc(N)nc(N)c2)c1-c1nn[nH]n1
InChIInChI=1S/C13H13N7O2S/c1-23(21,22)9-4-2-3-8(12(9)13-17-19-20-18-13)7-5-10(14)16-11(15)6-7/h2-6H,1H3,(H4,14,15,16)(H,17,18,19,20)
InChIKeyDBJDMALUWUPSLC-UHFFFAOYSA-N
XLogP0.50
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
CID 122694319
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
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
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 122694487

Frequently Asked Questions

What is the IUPAC name of 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine (CID 122694139) is 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine is CS(=O)(=O)c1cccc(-c2cc(N)nc(N)c2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine?
The InChIKey is DBJDMALUWUPSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c1-23(21,22)9-4-2-3-8(12(9)13-17-19-20-18-13)7-5-10(14)16-11(15)6-7/h2-6H,1H3,(H4,14,15,16)(H,17,18,19,20).
What are the key properties of 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine?
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine has a molecular weight of 331.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 122694139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).