[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C15H20ClN3O4S — CID 1091481

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyMNPWCZXOEGJAQE-UHFFFAOYSA-N
MW373.86 g/mol
LogP1.10
Rot. Bonds2

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 1091481) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID1091481
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyMNPWCZXOEGJAQE-UHFFFAOYSA-N
XLogP1.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
{3-[(4-Chlorophenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498821
Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate
CID 741725
[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1094976
4-chloro-N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 935339
[3-(4-Chloro-benzenesulfonyl)-2-methyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498827
4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 987000
4-[(4-Chlorophenyl)sulfonyl]piperazinyl piperidyl ketone
CID 1091482
2-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3739910
Benzenesulfonamide, 4-chloro-N-(((1-methylethyl)amino)carbonyl)-, compd. with morpholine (1:1)
CID 3087272
N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
CID 5128958
Piperazine-1-carboxamide, 4-(4-chlorophenylsulfonyl)-N,N-dimethyl-
CID 593534

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 1091481) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MNPWCZXOEGJAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 373.86 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1091481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).