3-[methyl(propylsulfonyl)amino]benzamide

C11H16N2O3S — CID 91156194

IUPAC3-[methyl(propylsulfonyl)amino]benzamide
SMILESCCCS(=O)(=O)N(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-3-7-17(15,16)13(2)10-6-4-5-9(8-10)11(12)14/h4-6,8H,3,7H2,1-2H3,(H2,12,14)
InChIKeyDEALHELXOCIVAQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.96
Rot. Bonds5

About 3-[methyl(propylsulfonyl)amino]benzamide

3-[methyl(propylsulfonyl)amino]benzamide (PubChem CID 91156194) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[methyl(propylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name3-[methyl(propylsulfonyl)amino]benzamide
PubChem CID91156194
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[methyl(propylsulfonyl)amino]benzamide
SMILESCCCS(=O)(=O)N(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-3-7-17(15,16)13(2)10-6-4-5-9(8-10)11(12)14/h4-6,8H,3,7H2,1-2H3,(H2,12,14)
InChIKeyDEALHELXOCIVAQ-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
CID 100785734
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100786033
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
CID 56628599
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
3-[bis(heptylsulfanylmethyl)amino]benzamide
CID 169409600
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
N-[(2S,3R)-4-[(5-ethylfuran-2-yl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-[methyl(propylsulfonyl)amino]benzamide
CID 142672234
3-[diethylsulfamoyl(methoxy)methyl]benzamide
CID 91128223

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propylsulfonyl)amino]benzamide?
The IUPAC name of 3-[methyl(propylsulfonyl)amino]benzamide (CID 91156194) is 3-[methyl(propylsulfonyl)amino]benzamide.
What is the SMILES notation for 3-[methyl(propylsulfonyl)amino]benzamide?
The canonical SMILES for 3-[methyl(propylsulfonyl)amino]benzamide is CCCS(=O)(=O)N(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[methyl(propylsulfonyl)amino]benzamide?
The InChIKey is DEALHELXOCIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-7-17(15,16)13(2)10-6-4-5-9(8-10)11(12)14/h4-6,8H,3,7H2,1-2H3,(H2,12,14).
What are the key properties of 3-[methyl(propylsulfonyl)amino]benzamide?
3-[methyl(propylsulfonyl)amino]benzamide has a molecular weight of 256.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propylsulfonyl)amino]benzamide is sourced from PubChem (CID 91156194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).