3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide

C15H20Cl2N4O4S — CID 55551871

IUPAC3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O4S/c1-18-15(23)19-14(22)4-5-20-6-8-21(9-7-20)26(24,25)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3,(H2,18,19,22,23)
InChIKeyCKXVNERAZQQNKY-UHFFFAOYSA-N
MW423.32 g/mol
LogP1.15
Rot. Bonds5

About 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide

3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 55551871) has the molecular formula C15H20Cl2N4O4S and a molecular weight of 423.32 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID55551871
Molecular FormulaC15H20Cl2N4O4S
Molecular Weight423.32 g/mol
Exact Mass422.06
IUPAC Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O4S/c1-18-15(23)19-14(22)4-5-20-6-8-21(9-7-20)26(24,25)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3,(H2,18,19,22,23)
InChIKeyCKXVNERAZQQNKY-UHFFFAOYSA-N
XLogP1.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9349018
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
(2R)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CID 9349031
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9349010
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9349024
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 55354672
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119678843
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 27185213

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 55551871) is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is CKXVNERAZQQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O4S/c1-18-15(23)19-14(22)4-5-20-6-8-21(9-7-20)26(24,25)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3,(H2,18,19,22,23).
What are the key properties of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 423.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).