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

C13H18N6O4S2 — CID 23610585

IUPAC1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1-n1cnnn1
InChIInChI=1S/C13H18N6O4S2/c1-11-9-12(3-4-13(11)19-10-14-15-16-19)25(22,23)18-7-5-17(6-8-18)24(2,20)21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCVOJYIOTKLTKBZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP-0.76
Rot. Bonds4

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

1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (PubChem CID 23610585) has the molecular formula C13H18N6O4S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
PubChem CID23610585
Molecular FormulaC13H18N6O4S2
Molecular Weight386.46 g/mol
Exact Mass386.08
IUPAC Name1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1-n1cnnn1
InChIInChI=1S/C13H18N6O4S2/c1-11-9-12(3-4-13(11)19-10-14-15-16-19)25(22,23)18-7-5-17(6-8-18)24(2,20)21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCVOJYIOTKLTKBZ-UHFFFAOYSA-N
XLogP-0.76
TPSA118.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1435642
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
2-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 654021
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 49189548
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55873057
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 167927034
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (CID 23610585) is 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1-n1cnnn1.
What is the InChIKey of 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The InChIKey is CVOJYIOTKLTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4S2/c1-11-9-12(3-4-13(11)19-10-14-15-16-19)25(22,23)18-7-5-17(6-8-18)24(2,20)21/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine has a molecular weight of 386.46 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 23610585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).