N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide

C14H21NO3S — CID 102369016

IUPACN,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-15(5-2)19(17,18)11-10-14(16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCDPZBTJYWYRJID-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.24
Rot. Bonds7

About N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide

N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide (PubChem CID 102369016) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide
PubChem CID102369016
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-15(5-2)19(17,18)11-10-14(16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCDPZBTJYWYRJID-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N,N-dimethylbenzene-1-sulfonamide
CID 2064041
4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 7528622
1-(4-Methylphenyl)-2-(methylsulfonyl)ethanone
CID 957800
4-acetyl-N,N-diethylbenzenesulfonamide
CID 750432
2-(4-Morpholinylsulfonyl)-1-phenylethanone
CID 13971500
2-(4-Methylpiperazin-1-yl)sulfonyl-1-phenylethanone
CID 13971501
(E)-2-(4-acetylphenyl)ethenesulfonyl fluoride
CID 155568368
N-[(E)-2-(4-acetylphenyl)-2-fluoroethenyl]methanesulfonamide
CID 154710712
4-(2,2-difluoroacetyl)-N,N-dipropylbenzenesulfonamide
CID 176437945
4-(4-Methylphenyl)-4-oxobutane-1-sulfonyl fluoride
CID 177851830
Sodium 2-(4-methylphenyl)-2-oxoethanesulfonate
CID 2189570
2-Oxo-2-phenylethane-1-sulfonamide
CID 13398961

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide (CID 102369016) is N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide is CCN(CC)S(=O)(=O)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide?
The InChIKey is CDPZBTJYWYRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-15(5-2)19(17,18)11-10-14(16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide?
N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methylphenyl)-3-oxopropane-1-sulfonamide is sourced from PubChem (CID 102369016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).