1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

C24H24Cl2N2O3S — CID 6737163

IUPAC1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-31-22-10-12-23(13-11-22)32(29,30)28-16-14-27(15-17-28)24(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-13,24H,14-17H2,1H3
InChIKeyFYBGJYBMKIJCIO-UHFFFAOYSA-N
MW491.44 g/mol
LogP5.10
Rot. Bonds6

About 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 6737163) has the molecular formula C24H24Cl2N2O3S and a molecular weight of 491.44 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID6737163
Molecular FormulaC24H24Cl2N2O3S
Molecular Weight491.44 g/mol
Exact Mass490.09
IUPAC Name1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H24Cl2N2O3S/c1-31-22-10-12-23(13-11-22)32(29,30)28-16-14-27(15-17-28)24(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-13,24H,14-17H2,1H3
InChIKeyFYBGJYBMKIJCIO-UHFFFAOYSA-N
XLogP5.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-4-methoxybenzenesulfonamide
CID 10184112
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 46100707
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 42934746
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 6737163) is 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is FYBGJYBMKIJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S/c1-31-22-10-12-23(13-11-22)32(29,30)28-16-14-27(15-17-28)24(18-2-6-20(25)7-3-18)19-4-8-21(26)9-5-19/h2-13,24H,14-17H2,1H3.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 491.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 6737163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).