3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide

C20H24N6O2S — CID 144893486

IUPAC3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCC(C)(O)C1CN(Cc2ccc(-c3cccc(S(N)=O)c3-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C20H24N6O2S/c1-20(2,27)15-11-26(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17(29(21)28)18(16)19-22-24-25-23-19/h3-9,15,27H,10-12,21H2,1-2H3,(H,22,23,24,25)
InChIKeyMSOOTTCERDFWDO-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.72
Rot. Bonds6

About 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide

3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide (PubChem CID 144893486) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Name3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
PubChem CID144893486
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
SMILESCC(C)(O)C1CN(Cc2ccc(-c3cccc(S(N)=O)c3-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C20H24N6O2S/c1-20(2,27)15-11-26(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17(29(21)28)18(16)19-22-24-25-23-19/h3-9,15,27H,10-12,21H2,1-2H3,(H,22,23,24,25)
InChIKeyMSOOTTCERDFWDO-UHFFFAOYSA-N
XLogP1.72
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide 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

ethane;3-[6-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 144893253
3-[4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265970
3-methoxy-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 144893572
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
ethyl 5-(2-hydroxypropan-2-yl)-2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 143199226
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
2-tert-butyl-5-propan-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 10180227

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The IUPAC name of 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide (CID 144893486) is 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide.
What is the SMILES notation for 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The canonical SMILES for 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide is CC(C)(O)C1CN(Cc2ccc(-c3cccc(S(N)=O)c3-c3nn[nH]n3)cc2)C1.
What is the InChIKey of 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide?
The InChIKey is MSOOTTCERDFWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-20(2,27)15-11-26(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17(29(21)28)18(16)19-22-24-25-23-19/h3-9,15,27H,10-12,21H2,1-2H3,(H,22,23,24,25).
What are the key properties of 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide?
3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide has a molecular weight of 412.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 144893486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).