2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C16H24N2O3S — CID 112995675

IUPAC2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-6-7-15(14(3)9-12)22(20,21)17-10-16(19)18-8-4-5-13(2)11-18/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3
InChIKeyWNEAXVVZAJEKOD-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.84
Rot. Bonds4

About 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 112995675) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID112995675
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-6-7-15(14(3)9-12)22(20,21)17-10-16(19)18-8-4-5-13(2)11-18/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3
InChIKeyWNEAXVVZAJEKOD-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
N-[2-[(3R)-3-cyanopiperidin-1-yl]-2-oxoethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 124848961
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,4-dimethylbenzenesulfonamide
CID 112994205
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
CID 97324656
N-[3-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2,4-dimethylbenzenesulfonamide
CID 67022679
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
N-[2-(1,4-diazabicyclo[3.2.1]octan-4-yl)-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 138035760
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 112995675) is 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is WNEAXVVZAJEKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-6-7-15(14(3)9-12)22(20,21)17-10-16(19)18-8-4-5-13(2)11-18/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 112995675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).