2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one

C20H16Cl2N2O5S — CID 27563251

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C20H16Cl2N2O5S/c21-14-5-3-7-18(19(14)22)30(27,28)24-10-8-23(9-11-24)20(26)17-12-15(25)13-4-1-2-6-16(13)29-17/h1-7,12H,8-11H2
InChIKeyOPZDALCTPGOZEH-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.25
Rot. Bonds3

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one

2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one (PubChem CID 27563251) has the molecular formula C20H16Cl2N2O5S and a molecular weight of 467.33 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
PubChem CID27563251
Molecular FormulaC20H16Cl2N2O5S
Molecular Weight467.33 g/mol
Exact Mass466.02
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C20H16Cl2N2O5S/c21-14-5-3-7-18(19(14)22)30(27,28)24-10-8-23(9-11-24)20(26)17-12-15(25)13-4-1-2-6-16(13)29-17/h1-7,12H,8-11H2
InChIKeyOPZDALCTPGOZEH-UHFFFAOYSA-N
XLogP3.25
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
CID 9496445
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
4-chloro-5-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid
CID 67203207
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 26872270
2-[(7R)-7-(2-chlorophenyl)-1,4-thiazepane-4-carbonyl]chromen-4-one
CID 124670847
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
2-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]chromen-4-one
CID 55620728
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one (CID 27563251) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one?
The InChIKey is OPZDALCTPGOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O5S/c21-14-5-3-7-18(19(14)22)30(27,28)24-10-8-23(9-11-24)20(26)17-12-15(25)13-4-1-2-6-16(13)29-17/h1-7,12H,8-11H2.
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one has a molecular weight of 467.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 27563251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).