3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide

C17H21N3O3S — CID 871491

IUPAC3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-12-14(10-9-13(15)3)17(21)19-16-8-6-7-11-18-16/h6-12H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyGFDIHVUILJTFLA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.67
Rot. Bonds6

About 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide

3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide (PubChem CID 871491) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide
PubChem CID871491
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-12-14(10-9-13(15)3)17(21)19-16-8-6-7-11-18-16/h6-12H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyGFDIHVUILJTFLA-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
4-benzoyl-N-(3-methylpyridin-2-yl)benzamide
CID 9119219

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide (CID 871491) is 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is GFDIHVUILJTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-12-14(10-9-13(15)3)17(21)19-16-8-6-7-11-18-16/h6-12H,4-5H2,1-3H3,(H,18,19,21).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide?
3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 347.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 871491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).