1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine

C11H13Cl3N2O2S — CID 702610

IUPAC1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C11H13Cl3N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3H,4-7H2,1H3
InChIKeyOBUSAVLFJCRSJZ-UHFFFAOYSA-N
MW343.66 g/mol
LogP2.58
Rot. Bonds2

About 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine

1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine (PubChem CID 702610) has the molecular formula C11H13Cl3N2O2S and a molecular weight of 343.66 g/mol. Its IUPAC name is 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
PubChem CID702610
Molecular FormulaC11H13Cl3N2O2S
Molecular Weight343.66 g/mol
Exact Mass341.98
IUPAC Name1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C11H13Cl3N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3H,4-7H2,1H3
InChIKeyOBUSAVLFJCRSJZ-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Chlorophenyl)sulfonyl]-4-methylpiperazine
CID 754318
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
2-[(2,4,5-Trichlorophenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466850
1-(3,4-Dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane;hydrochloride
CID 16196849
1-(2,3-Dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane;hydrochloride
CID 16196895
1-(3,4-Dichlorobenzenesulfonyl)piperazine
CID 2565881
1-Methyl-4-(2,4,5-trichloro-benzenesulfonyl)-piperazine
CID 775505
1-(3,4-Dichlorobenzenesulfonyl)piperazine hydrochloride
CID 42917377
1-((3-Chloro-4-fluorophenyl)sulfonyl)-4-methylpiperazine
CID 697760
2,4,5-trichloro-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 2804352
3,4-dichloro-N-ethyl-N-methylbenzenesulfonamide
CID 172437387
1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 2807165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine (CID 702610) is 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1.
What is the InChIKey of 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
The InChIKey is OBUSAVLFJCRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3H,4-7H2,1H3.
What are the key properties of 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine?
1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine has a molecular weight of 343.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,4-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).