N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide

C16H17Cl2N3O2S — CID 126622029

IUPACN-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-14(10-12)20-24(22,23)16-3-1-15(2-4-16)21-7-5-19-6-8-21/h1-4,9-11,19-20H,5-8H2
InChIKeyUCDYZDWLWNRAKI-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.20
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide

N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide (PubChem CID 126622029) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
PubChem CID126622029
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC NameN-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-14(10-12)20-24(22,23)16-3-1-15(2-4-16)21-7-5-19-6-8-21/h1-4,9-11,19-20H,5-8H2
InChIKeyUCDYZDWLWNRAKI-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
4-(1,4-diazepan-1-yl)-N-ethylbenzenesulfonamide
CID 43453924
4-chloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112981742
4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
CID 135315096
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
CID 64554918
N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
CID 105360645
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
CID 135348302

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide (CID 126622029) is N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide?
The InChIKey is UCDYZDWLWNRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-12-9-13(18)11-14(10-12)20-24(22,23)16-3-1-15(2-4-16)21-7-5-19-6-8-21/h1-4,9-11,19-20H,5-8H2.
What are the key properties of N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide?
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide has a molecular weight of 386.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 126622029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).