1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

C19H22N6O3S — CID 1442045

IUPAC1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)c1
InChIInChI=1S/C19H22N6O3S/c1-15-12-18(6-7-19(15)25-14-20-21-22-25)29(26,27)24-10-8-23(9-11-24)16-4-3-5-17(13-16)28-2/h3-7,12-14H,8-11H2,1-2H3
InChIKeyUTSYHDKRBHWLGH-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (PubChem CID 1442045) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
PubChem CID1442045
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)c1
InChIInChI=1S/C19H22N6O3S/c1-15-12-18(6-7-19(15)25-14-20-21-22-25)29(26,27)24-10-8-23(9-11-24)16-4-3-5-17(13-16)28-2/h3-7,12-14H,8-11H2,1-2H3
InChIKeyUTSYHDKRBHWLGH-UHFFFAOYSA-N
XLogP1.49
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1435642
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-[3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 113078159
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 46283484
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (CID 1442045) is 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is COc1cccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The InChIKey is UTSYHDKRBHWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-15-12-18(6-7-19(15)25-14-20-21-22-25)29(26,27)24-10-8-23(9-11-24)16-4-3-5-17(13-16)28-2/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine has a molecular weight of 414.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 1442045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).