1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride

C10H13Cl3N2O2S — CID 42917377

IUPAC1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C10H12Cl2N2O2S.ClH/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H
InChIKeyRQHDVDKMNZZWCE-UHFFFAOYSA-N
MW331.65 g/mol
LogP2.01
Rot. Bonds2

About 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride

1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 42917377) has the molecular formula C10H13Cl3N2O2S and a molecular weight of 331.65 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID42917377
Molecular FormulaC10H13Cl3N2O2S
Molecular Weight331.65 g/mol
Exact Mass329.98
IUPAC Name1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C10H12Cl2N2O2S.ClH/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H
InChIKeyRQHDVDKMNZZWCE-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.65
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorobenzenesulfonyl)piperazine
CID 801806
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
1-[(2,5-Dichlorophenyl)sulfonyl]piperazine
CID 3734885
4-chloro-N-[1,1-dimethyl-2-(1-piperazinyl)ethyl]benzenesulfonamide
CID 768502
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 965272
3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2100240
[3-[(3,4-Dichlorophenyl)sulfonylamino]-2,2-dimethylpropyl]-dimethylazanium chloride
CID 16196391
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,3,4-trichlorobenzenesulfonamide
CID 10275391
1-(3,4-Dichlorobenzenesulfonyl)piperazine
CID 2565881
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 6602887

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride (CID 42917377) is 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is RQHDVDKMNZZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S.ClH/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride?
1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 331.65 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 42917377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).