3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide

C13H19ClN2O3S — CID 24685267

IUPAC3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-16(2)9-8-15-13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyAGFRSMMTTYYPAO-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.18
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 24685267) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID24685267
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-16(2)9-8-15-13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyAGFRSMMTTYYPAO-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
CID 2819413
3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide
CID 3554947
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24816998
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
3-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 2207240
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-[(4-chlorophenyl)sulfonyl]-N-{2-[(4-chlorophenyl)sulfonyl]ethyl}acetamide
CID 2765488
N-{2-[(4-chlorophenyl)sulfonyl]ethyl}-2-(phenylsulfonyl)propanamide
CID 2765489
2-[(4-chlorophenyl)sulfonyl]-N-{2-[(4-chlorophenyl)sulfonyl]ethyl}propanamide
CID 2765498
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(1-piperazinyl)acetamide hydrochloride
CID 2990458

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide (CID 24685267) is 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is AGFRSMMTTYYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16(2)9-8-15-13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 318.83 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 24685267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).