2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine

C17H20N6O2S — CID 130230548

IUPAC2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C(CN)CN)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H20N6O2S/c1-26(24,25)15-4-2-3-14(16(15)17-20-22-23-21-17)12-7-5-11(6-8-12)13(9-18)10-19/h2-8,13H,9-10,18-19H2,1H3,(H,20,21,22,23)
InChIKeyTYKARYGSRSRAGE-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.94
Rot. Bonds6

About 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine

2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine (PubChem CID 130230548) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
PubChem CID130230548
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C(CN)CN)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H20N6O2S/c1-26(24,25)15-4-2-3-14(16(15)17-20-22-23-21-17)12-7-5-11(6-8-12)13(9-18)10-19/h2-8,13H,9-10,18-19H2,1H3,(H,20,21,22,23)
InChIKeyTYKARYGSRSRAGE-UHFFFAOYSA-N
XLogP0.94
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine 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
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
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
N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 122694487
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
CID 122694319

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine?
The IUPAC name of 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine (CID 130230548) is 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine.
What is the SMILES notation for 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine?
The canonical SMILES for 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine is CS(=O)(=O)c1cccc(-c2ccc(C(CN)CN)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine?
The InChIKey is TYKARYGSRSRAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-26(24,25)15-4-2-3-14(16(15)17-20-22-23-21-17)12-7-5-11(6-8-12)13(9-18)10-19/h2-8,13H,9-10,18-19H2,1H3,(H,20,21,22,23).
What are the key properties of 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine?
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine has a molecular weight of 372.45 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine is sourced from PubChem (CID 130230548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).