N,N,4-trimethyl-3-methylsulfonylbenzamide

C11H15NO3S — CID 118473526

IUPACN,N,4-trimethyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-8-5-6-9(11(13)12(2)3)7-10(8)16(4,14)15/h5-7H,1-4H3
InChIKeyMJCSXNPXSYZAKJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.10
Rot. Bonds2

About N,N,4-trimethyl-3-methylsulfonylbenzamide

N,N,4-trimethyl-3-methylsulfonylbenzamide (PubChem CID 118473526) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,N,4-trimethyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-methylsulfonylbenzamide
PubChem CID118473526
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,N,4-trimethyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-8-5-6-9(11(13)12(2)3)7-10(8)16(4,14)15/h5-7H,1-4H3
InChIKeyMJCSXNPXSYZAKJ-UHFFFAOYSA-N
XLogP1.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
N-(diaminomethylidene)-4-methyl-3-methylsulfonylbenzamide
CID 19096138
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
(3,3-difluoroazetidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 118473535
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-methylsulfonylbenzamide?
The IUPAC name of N,N,4-trimethyl-3-methylsulfonylbenzamide (CID 118473526) is N,N,4-trimethyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N,N,4-trimethyl-3-methylsulfonylbenzamide?
The canonical SMILES for N,N,4-trimethyl-3-methylsulfonylbenzamide is Cc1ccc(C(=O)N(C)C)cc1S(C)(=O)=O.
What is the InChIKey of N,N,4-trimethyl-3-methylsulfonylbenzamide?
The InChIKey is MJCSXNPXSYZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-5-6-9(11(13)12(2)3)7-10(8)16(4,14)15/h5-7H,1-4H3.
What are the key properties of N,N,4-trimethyl-3-methylsulfonylbenzamide?
N,N,4-trimethyl-3-methylsulfonylbenzamide has a molecular weight of 241.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 118473526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).