1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine

C13H18BrClN2O2S — CID 47117988

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2O2S/c1-10(2)16-5-7-17(8-6-16)20(18,19)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUTIPUINCYZIUJX-UHFFFAOYSA-N
MW381.72 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine

1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 47117988) has the molecular formula C13H18BrClN2O2S and a molecular weight of 381.72 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID47117988
Molecular FormulaC13H18BrClN2O2S
Molecular Weight381.72 g/mol
Exact Mass380.00
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2O2S/c1-10(2)16-5-7-17(8-6-16)20(18,19)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUTIPUINCYZIUJX-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-bromoethyl)piperazine
CID 80675496
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309889
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142320
2-bromo-4-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 114625187

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine (CID 47117988) is 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is UTIPUINCYZIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2S/c1-10(2)16-5-7-17(8-6-16)20(18,19)13-4-3-11(14)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine?
1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 381.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 47117988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).