4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline

C16H17Cl2N3O2S — CID 166075301

IUPAC4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-15(10-12)20-5-7-21(8-6-20)24(22,23)16-3-1-14(19)2-4-16/h1-4,9-11H,5-8,19H2
InChIKeyRYZYWAJEYZFAFC-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.09
Rot. Bonds3

About 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline

4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline (PubChem CID 166075301) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline
PubChem CID166075301
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-15(10-12)20-5-7-21(8-6-20)24(22,23)16-3-1-14(19)2-4-16/h1-4,9-11H,5-8,19H2
InChIKeyRYZYWAJEYZFAFC-UHFFFAOYSA-N
XLogP3.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylaniline
CID 21314935
4-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonylaniline
CID 2052059
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
4-[4-(4-benzylphenyl)piperazin-1-yl]sulfonylaniline
CID 2052057
4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylaniline
CID 22688881
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3,5-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 26544769
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline?
The IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline (CID 166075301) is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline.
What is the SMILES notation for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline?
The canonical SMILES for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline?
The InChIKey is RYZYWAJEYZFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-15(10-12)20-5-7-21(8-6-20)24(22,23)16-3-1-14(19)2-4-16/h1-4,9-11H,5-8,19H2.
What are the key properties of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline?
4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline has a molecular weight of 386.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylaniline is sourced from PubChem (CID 166075301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).