1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine

C17H18ClIN2O2S — CID 91670020

IUPAC1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
SMILESCc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C17H18ClIN2O2S/c1-13-16(18)3-2-4-17(13)20-9-11-21(12-10-20)24(22,23)15-7-5-14(19)6-8-15/h2-8H,9-12H2,1H3
InChIKeyVIOUYPYGGQSIMY-UHFFFAOYSA-N
MW476.77 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine

1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine (PubChem CID 91670020) has the molecular formula C17H18ClIN2O2S and a molecular weight of 476.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
PubChem CID91670020
Molecular FormulaC17H18ClIN2O2S
Molecular Weight476.77 g/mol
Exact Mass475.98
IUPAC Name1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
SMILESCc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C17H18ClIN2O2S/c1-13-16(18)3-2-4-17(13)20-9-11-21(12-10-20)24(22,23)15-7-5-14(19)6-8-15/h2-8H,9-12H2,1H3
InChIKeyVIOUYPYGGQSIMY-UHFFFAOYSA-N
XLogP3.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.77
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
CID 91670040
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16645607
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine (CID 91670020) is 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine is Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine?
The InChIKey is VIOUYPYGGQSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIN2O2S/c1-13-16(18)3-2-4-17(13)20-9-11-21(12-10-20)24(22,23)15-7-5-14(19)6-8-15/h2-8H,9-12H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine?
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine has a molecular weight of 476.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine is sourced from PubChem (CID 91670020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).