1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine

C17H19ClN2O3S — CID 1076575

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyCCFFINUYBWCFRH-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine

1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1076575) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1076575
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyCCFFINUYBWCFRH-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 1260301
1-(3,4-Dichloro-2-methoxybenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 2921244
N-[4-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2954170
1-((4-Chloro-3-methoxyphenyl)sulfonyl)-4-(4-fluorophenyl)piperazine
CID 660922
1-(4-Fluoro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085529
1-[(5-Chloro-2-ethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1179548
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}acetamide
CID 2264774
1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280662
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 2967884

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine (CID 1076575) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine is COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is CCFFINUYBWCFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 366.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1076575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).