4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine

C19H21N5O3S — CID 7465712

IUPAC4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nnn(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-15-5-7-17(8-6-15)19-20-22-24(21-19)14-16-3-2-4-18(13-16)28(25,26)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeyJXYWTDGIJOFPGQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.72
Rot. Bonds5

About 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine

4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine (PubChem CID 7465712) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
PubChem CID7465712
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nnn(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-15-5-7-17(8-6-15)19-20-22-24(21-19)14-16-3-2-4-18(13-16)28(25,26)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeyJXYWTDGIJOFPGQ-UHFFFAOYSA-N
XLogP1.72
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
1-(4-methylphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium
CID 8008676
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
CID 51120749
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine (CID 7465712) is 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine is Cc1ccc(-c2nnn(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1.
What is the InChIKey of 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine?
The InChIKey is JXYWTDGIJOFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-15-5-7-17(8-6-15)19-20-22-24(21-19)14-16-3-2-4-18(13-16)28(25,26)23-9-11-27-12-10-23/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine?
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine has a molecular weight of 399.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 7465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).