N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide

C12H17NO3S — CID 63196525

IUPACN-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide
SMILESCCC(C(C)=O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H17NO3S/c1-4-10(9(2)14)11-7-5-6-8-12(11)17(15,16)13-3/h5-8,10,13H,4H2,1-3H3
InChIKeyHHJXCRWQNMNART-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide

N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide (PubChem CID 63196525) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide
PubChem CID63196525
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide
SMILESCCC(C(C)=O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H17NO3S/c1-4-10(9(2)14)11-7-5-6-8-12(11)17(15,16)13-3/h5-8,10,13H,4H2,1-3H3
InChIKeyHHJXCRWQNMNART-UHFFFAOYSA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylsulfonylphenyl)pentan-2-one
CID 63196318
3-[2-(trifluoromethylsulfonyl)phenyl]pentan-2-one
CID 63196973
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
4-chloro-4-oxo-3-[2-(pentan-3-ylsulfamoyl)phenyl]butanoic acid
CID 87847066
2-(2-chloro-1-cyanoethyl)-N-methylbenzenesulfonamide
CID 63216285
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide (CID 63196525) is N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide is CCC(C(C)=O)c1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide?
The InChIKey is HHJXCRWQNMNART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-10(9(2)14)11-7-5-6-8-12(11)17(15,16)13-3/h5-8,10,13H,4H2,1-3H3.
What are the key properties of N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide?
N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63196525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).