(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone

C22H29N3O3S — CID 9153899

IUPAC(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-23(4-2)21-12-10-20(11-13-21)22(26)24-14-16-25(17-15-24)29(27,28)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3
InChIKeySVQRSXNGIGIVQS-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.82
Rot. Bonds7

About (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone

(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone (PubChem CID 9153899) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
PubChem CID9153899
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-23(4-2)21-12-10-20(11-13-21)22(26)24-14-16-25(17-15-24)29(27,28)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3
InChIKeySVQRSXNGIGIVQS-UHFFFAOYSA-N
XLogP2.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone 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

(4-benzylsulfonylpiperazin-1-yl)-(4-butoxyphenyl)methanone
CID 9299390
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953
(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365452
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
(4-ethylpiperazin-1-yl)-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanone
CID 28637058
(4-benzylsulfonylpiperazin-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 27757367
[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 110798205
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
(4-benzylsulfonylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 17406284

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone (CID 9153899) is (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone is CCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
The InChIKey is SVQRSXNGIGIVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-23(4-2)21-12-10-20(11-13-21)22(26)24-14-16-25(17-15-24)29(27,28)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone?
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone has a molecular weight of 415.56 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone is sourced from PubChem (CID 9153899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).