4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide

C19H26Cl2N4O4S — CID 55802278

IUPAC4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C19H26Cl2N4O4S/c20-16-5-4-15(14-17(16)21)30(28,29)25-12-10-24(11-13-25)19(27)22-7-6-18(26)23-8-2-1-3-9-23/h4-5,14H,1-3,6-13H2,(H,22,27)
InChIKeyWLMVCWFUEUBNRT-UHFFFAOYSA-N
MW477.41 g/mol
LogP2.41
Rot. Bonds5

About 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide

4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 55802278) has the molecular formula C19H26Cl2N4O4S and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID55802278
Molecular FormulaC19H26Cl2N4O4S
Molecular Weight477.41 g/mol
Exact Mass476.11
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C19H26Cl2N4O4S/c20-16-5-4-15(14-17(16)21)30(28,29)25-12-10-24(11-13-25)19(27)22-7-6-18(26)23-8-2-1-3-9-23/h4-5,14H,1-3,6-13H2,(H,22,27)
InChIKeyWLMVCWFUEUBNRT-UHFFFAOYSA-N
XLogP2.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 26869336
N-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 55543692
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 26869391
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55648299
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanoic acid
CID 122021772

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide (CID 55802278) is 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide is O=C(CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is WLMVCWFUEUBNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O4S/c20-16-5-4-15(14-17(16)21)30(28,29)25-12-10-24(11-13-25)19(27)22-7-6-18(26)23-8-2-1-3-9-23/h4-5,14H,1-3,6-13H2,(H,22,27).
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 477.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 55802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).