3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide

C17H21N3O3S — CID 56806271

IUPAC3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide
SMILESCC(C)(C)CN(c1cccnc1)S(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)12-20(14-7-5-9-19-11-14)24(22,23)15-8-4-6-13(10-15)16(18)21/h4-11H,12H2,1-3H3,(H2,18,21)
InChIKeyFZLZCNRZKVONTP-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.42
Rot. Bonds5

About 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide

3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide (PubChem CID 56806271) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide
PubChem CID56806271
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide
SMILESCC(C)(C)CN(c1cccnc1)S(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)12-20(14-7-5-9-19-11-14)24(22,23)15-8-4-6-13(10-15)16(18)21/h4-11H,12H2,1-3H3,(H2,18,21)
InChIKeyFZLZCNRZKVONTP-UHFFFAOYSA-N
XLogP2.42
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarbothioamide
CID 62969653
methyl 3-[(3-fluoro-N-pyridin-3-ylsulfonylanilino)methyl]benzoate
CID 174898574
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
3-[(3,4-dimethylphenyl)-pentan-3-ylsulfamoyl]benzamide
CID 86777773
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 159070876
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643
benzene;pyridine-3-carboxamide
CID 66766032
methane;pyridine-3-carboxamide
CID 19390506

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide?
The IUPAC name of 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide (CID 56806271) is 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide is CC(C)(C)CN(c1cccnc1)S(=O)(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide?
The InChIKey is FZLZCNRZKVONTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2,3)12-20(14-7-5-9-19-11-14)24(22,23)15-8-4-6-13(10-15)16(18)21/h4-11H,12H2,1-3H3,(H2,18,21).
What are the key properties of 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide?
3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(pyridin-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 56806271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).