3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide

C16H19N3O3S — CID 18162985

IUPAC3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-12(14-7-5-9-17-11-14)18-16(20)13-6-4-8-15(10-13)23(21,22)19(2)3/h4-12H,1-3H3,(H,18,20)
InChIKeyFJJJNKQVXIMHOL-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.82
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide

3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18162985) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18162985
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c1-12(14-7-5-9-17-11-14)18-16(20)13-6-4-8-15(10-13)23(21,22)19(2)3/h4-12H,1-3H3,(H,18,20)
InChIKeyFJJJNKQVXIMHOL-UHFFFAOYSA-N
XLogP1.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24642262
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 81403974
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide (CID 18162985) is 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is FJJJNKQVXIMHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(14-7-5-9-17-11-14)18-16(20)13-6-4-8-15(10-13)23(21,22)19(2)3/h4-12H,1-3H3,(H,18,20).
What are the key properties of 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18162985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).