2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide

C15H22ClN3O5S2 — CID 30872696

IUPAC2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O5S2/c1-3-17-15(20)11-18-6-8-19(9-7-18)26(23,24)14-10-12(25(2,21)22)4-5-13(14)16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyNBCJWOPEEYEPEV-UHFFFAOYSA-N
MW423.94 g/mol
LogP0.19
Rot. Bonds6

About 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide

2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide (PubChem CID 30872696) has the molecular formula C15H22ClN3O5S2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
PubChem CID30872696
Molecular FormulaC15H22ClN3O5S2
Molecular Weight423.94 g/mol
Exact Mass423.07
IUPAC Name2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O5S2/c1-3-17-15(20)11-18-6-8-19(9-7-18)26(23,24)14-10-12(25(2,21)22)4-5-13(14)16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyNBCJWOPEEYEPEV-UHFFFAOYSA-N
XLogP0.19
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 27185213
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
CID 30808103
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
N-ethyl-2-[4-(3-fluoro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 60539728
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9349010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide (CID 30872696) is 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
The InChIKey is NBCJWOPEEYEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O5S2/c1-3-17-15(20)11-18-6-8-19(9-7-18)26(23,24)14-10-12(25(2,21)22)4-5-13(14)16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide?
2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide has a molecular weight of 423.94 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 30872696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).