2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide

C12H17ClN2O3S — CID 47446513

IUPAC2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
SMILESCN(CCCS(=O)(=O)c1ccc(Cl)cc1)CC(N)=O
InChIInChI=1S/C12H17ClN2O3S/c1-15(9-12(14)16)7-2-8-19(17,18)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H2,14,16)
InChIKeyJJIMTWVXUOTUNT-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.92
Rot. Bonds7

About 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide

2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide (PubChem CID 47446513) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
PubChem CID47446513
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
SMILESCN(CCCS(=O)(=O)c1ccc(Cl)cc1)CC(N)=O
InChIInChI=1S/C12H17ClN2O3S/c1-15(9-12(14)16)7-2-8-19(17,18)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H2,14,16)
InChIKeyJJIMTWVXUOTUNT-UHFFFAOYSA-N
XLogP0.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
CID 115665717
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
3-[3-(4-fluorophenyl)sulfonylpropyl-methylamino]propanoic acid
CID 119911146
2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 17496506
N'-[2-(4-chlorophenyl)sulfonylethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652731
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide (CID 47446513) is 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide is CN(CCCS(=O)(=O)c1ccc(Cl)cc1)CC(N)=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide?
The InChIKey is JJIMTWVXUOTUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-15(9-12(14)16)7-2-8-19(17,18)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H2,14,16).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide?
2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide has a molecular weight of 304.80 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide is sourced from PubChem (CID 47446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).