4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide

C18H17Cl2N3O4S — CID 69362944

IUPAC4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O4S/c19-14-7-6-12(10-15(14)20)18(25)23-9-8-22(11-16(23)17(21)24)28(26,27)13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2,(H2,21,24)
InChIKeyYJHWISAEAWHJHL-UHFFFAOYSA-N
MW442.32 g/mol
LogP1.99
Rot. Bonds4

About 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide

4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide (PubChem CID 69362944) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide
PubChem CID69362944
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC Name4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O4S/c19-14-7-6-12(10-15(14)20)18(25)23-9-8-22(11-16(23)17(21)24)28(26,27)13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2,(H2,21,24)
InChIKeyYJHWISAEAWHJHL-UHFFFAOYSA-N
XLogP1.99
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-1-benzoylpiperazine-2-carboxylic acid
CID 44783605
4-(4-cyanophenyl)sulfonyl-1-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 175752105
4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride
CID 22709993
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dichlorobenzamide
CID 16930749
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
(2S)-1,4-bis(benzenesulfonyl)-N-(2-chlorophenyl)piperazine-2-carboxamide
CID 999495

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide (CID 69362944) is 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide is NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide?
The InChIKey is YJHWISAEAWHJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c19-14-7-6-12(10-15(14)20)18(25)23-9-8-22(11-16(23)17(21)24)28(26,27)13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2,(H2,21,24).
What are the key properties of 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide?
4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide is sourced from PubChem (CID 69362944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).