5-acetyl-2-methyl-N-propylbenzenesulfonamide

C12H17NO3S — CID 39357440

IUPAC5-acetyl-2-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(C)=O)ccc1C
InChIInChI=1S/C12H17NO3S/c1-4-7-13-17(15,16)12-8-11(10(3)14)6-5-9(12)2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyLUXDAMPJRZDKTG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.89
Rot. Bonds5

About 5-acetyl-2-methyl-N-propylbenzenesulfonamide

5-acetyl-2-methyl-N-propylbenzenesulfonamide (PubChem CID 39357440) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-acetyl-2-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-methyl-N-propylbenzenesulfonamide
PubChem CID39357440
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-acetyl-2-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C(C)=O)ccc1C
InChIInChI=1S/C12H17NO3S/c1-4-7-13-17(15,16)12-8-11(10(3)14)6-5-9(12)2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyLUXDAMPJRZDKTG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016
3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
CID 7024656
ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
CID 120706731
5-(cyclopropanecarbonyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39366211
3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
N,2-dimethyl-5-propanoylbenzenesulfonamide
CID 82044488
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972
4-methyl-3-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642723
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-methyl-N-propylbenzenesulfonamide (CID 39357440) is 5-acetyl-2-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(C(C)=O)ccc1C.
What is the InChIKey of 5-acetyl-2-methyl-N-propylbenzenesulfonamide?
The InChIKey is LUXDAMPJRZDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-7-13-17(15,16)12-8-11(10(3)14)6-5-9(12)2/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 5-acetyl-2-methyl-N-propylbenzenesulfonamide?
5-acetyl-2-methyl-N-propylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 39357440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).