(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

C21H24BrClN2O4S — CID 155969258

IUPAC(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(Cl)c(Br)cc1C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C21H24BrClN2O4S/c1-13-9-14(2)20(15(3)10-13)30(27,28)25-7-5-24(6-8-25)21(26)16-11-17(22)18(23)12-19(16)29-4/h9-12H,5-8H2,1-4H3
InChIKeyGDMZGBHMTUZLLA-UHFFFAOYSA-N
MW515.86 g/mol
LogP4.18
Rot. Bonds4

About (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 155969258) has the molecular formula C21H24BrClN2O4S and a molecular weight of 515.86 g/mol. Its IUPAC name is (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID155969258
Molecular FormulaC21H24BrClN2O4S
Molecular Weight515.86 g/mol
Exact Mass514.03
IUPAC Name(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(Cl)c(Br)cc1C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C21H24BrClN2O4S/c1-13-9-14(2)20(15(3)10-13)30(27,28)25-7-5-24(6-8-25)21(26)16-11-17(22)18(23)12-19(16)29-4/h9-12H,5-8H2,1-4H3
InChIKeyGDMZGBHMTUZLLA-UHFFFAOYSA-N
XLogP4.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.86
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2540987
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639
4-(5-chloro-4-iodo-2-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 46412003
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
pyrazin-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 29436988
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326894
(2-bromo-5-methoxyphenyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 2710655
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 155969258) is (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is COc1cc(Cl)c(Br)cc1C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is GDMZGBHMTUZLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN2O4S/c1-13-9-14(2)20(15(3)10-13)30(27,28)25-7-5-24(6-8-25)21(26)16-11-17(22)18(23)12-19(16)29-4/h9-12H,5-8H2,1-4H3.
What are the key properties of (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 515.86 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 155969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).