4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine

C18H20ClFN2O2S — CID 3315256

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2C)c1
InChIInChI=1S/C18H20ClFN2O2S/c1-13-4-3-5-15(10-13)22-9-8-21(12-14(22)2)25(23,24)16-6-7-18(20)17(19)11-16/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyRVGFQERIAXVHRB-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.69
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine

4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine (PubChem CID 3315256) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
PubChem CID3315256
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2C)c1
InChIInChI=1S/C18H20ClFN2O2S/c1-13-4-3-5-15(10-13)22-9-8-21(12-14(22)2)25(23,24)16-6-7-18(20)17(19)11-16/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyRVGFQERIAXVHRB-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 98374220
3-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylic acid
CID 4286746
2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 98529963
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 4538990
2-methyl-4-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 92505236
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine (CID 3315256) is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2C)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
The InChIKey is RVGFQERIAXVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c1-13-4-3-5-15(10-13)22-9-8-21(12-14(22)2)25(23,24)16-6-7-18(20)17(19)11-16/h3-7,10-11,14H,8-9,12H2,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine?
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine has a molecular weight of 382.89 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine is sourced from PubChem (CID 3315256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).