1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine

C15H16ClN3O4S2 — CID 154834810

IUPAC1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H16ClN3O4S2/c16-13-3-5-14(6-4-13)24(20,21)18-8-10-19(11-9-18)25(22,23)15-2-1-7-17-12-15/h1-7,12H,8-11H2
InChIKeyVXGXAPDNGDJRLJ-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine

1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 154834810) has the molecular formula C15H16ClN3O4S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
PubChem CID154834810
Molecular FormulaC15H16ClN3O4S2
Molecular Weight401.90 g/mol
Exact Mass401.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H16ClN3O4S2/c16-13-3-5-14(6-4-13)24(20,21)18-8-10-19(11-9-18)25(22,23)15-2-1-7-17-12-15/h1-7,12H,8-11H2
InChIKeyVXGXAPDNGDJRLJ-UHFFFAOYSA-N
XLogP1.43
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine 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

1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
CID 23904900
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 43067431
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227234
3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one
CID 56520844
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine (CID 154834810) is 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is VXGXAPDNGDJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S2/c16-13-3-5-14(6-4-13)24(20,21)18-8-10-19(11-9-18)25(22,23)15-2-1-7-17-12-15/h1-7,12H,8-11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 401.90 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 154834810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).