N,N-dimethyl-3-(propylsulfonylamino)benzamide

C12H18N2O3S — CID 46449543

IUPACN,N-dimethyl-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-8-18(16,17)13-11-7-5-6-10(9-11)12(15)14(2)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyVZGBJOGQBFBCAT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-3-(propylsulfonylamino)benzamide

N,N-dimethyl-3-(propylsulfonylamino)benzamide (PubChem CID 46449543) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(propylsulfonylamino)benzamide
PubChem CID46449543
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN,N-dimethyl-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-8-18(16,17)13-11-7-5-6-10(9-11)12(15)14(2)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyVZGBJOGQBFBCAT-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 37137902
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119203491
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-(octylsulfonylamino)benzoic acid
CID 152726076
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 39925941

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(propylsulfonylamino)benzamide?
The IUPAC name of N,N-dimethyl-3-(propylsulfonylamino)benzamide (CID 46449543) is N,N-dimethyl-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N,N-dimethyl-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(propylsulfonylamino)benzamide?
The InChIKey is VZGBJOGQBFBCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-8-18(16,17)13-11-7-5-6-10(9-11)12(15)14(2)3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(propylsulfonylamino)benzamide?
N,N-dimethyl-3-(propylsulfonylamino)benzamide has a molecular weight of 270.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 46449543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).