3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide

C13H18ClN3O4S — CID 9480885

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O4S/c1-17(2)13(19)9-15-12(18)7-8-16-22(20,21)11-5-3-10(14)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyCHAIWLMMKMTSLO-UHFFFAOYSA-N
MW347.82 g/mol
LogP0.21
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide (PubChem CID 9480885) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
PubChem CID9480885
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O4S/c1-17(2)13(19)9-15-12(18)7-8-16-22(20,21)11-5-3-10(14)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyCHAIWLMMKMTSLO-UHFFFAOYSA-N
XLogP0.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841972
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 4165843
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide (CID 9480885) is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide is CN(C)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The InChIKey is CHAIWLMMKMTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c1-17(2)13(19)9-15-12(18)7-8-16-22(20,21)11-5-3-10(14)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide has a molecular weight of 347.82 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 9480885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).