1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one

C21H24N6O4S2 — CID 22109566

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCOc1ccccc1-n1nnnc1SC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N6O4S2/c1-16(32-21-22-23-24-27(21)18-10-6-7-11-19(18)31-2)20(28)25-12-14-26(15-13-25)33(29,30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyASBPWMWBMWWQSK-UHFFFAOYSA-N
MW488.60 g/mol
LogP1.68
Rot. Bonds7

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one (PubChem CID 22109566) has the molecular formula C21H24N6O4S2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
PubChem CID22109566
Molecular FormulaC21H24N6O4S2
Molecular Weight488.60 g/mol
Exact Mass488.13
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCOc1ccccc1-n1nnnc1SC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N6O4S2/c1-16(32-21-22-23-24-27(21)18-10-6-7-11-19(18)31-2)20(28)25-12-14-26(15-13-25)33(29,30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyASBPWMWBMWWQSK-UHFFFAOYSA-N
XLogP1.68
TPSA110.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one 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

(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40860377
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 16560324
N-(2-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650689
(2R)-N-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42108956
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78761412
N-(2,3-dichlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16535943
(2S)-1-(4-ethylpiperazin-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 7762419
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8693395
(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 26477999
(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 26201915
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 55418579
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7863769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one (CID 22109566) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one is COc1ccccc1-n1nnnc1SC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The InChIKey is ASBPWMWBMWWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S2/c1-16(32-21-22-23-24-27(21)18-10-6-7-11-19(18)31-2)20(28)25-12-14-26(15-13-25)33(29,30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one has a molecular weight of 488.60 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one is sourced from PubChem (CID 22109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).