3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide

C20H19N3O3S — CID 50914019

IUPAC3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1cccc(CNS(=O)(=O)c2ccccc2)c1)c1cccnc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-9-6-12-21-15-18)20(24)17-8-5-7-16(13-17)14-22-27(25,26)19-10-3-2-4-11-19/h2-13,15,22H,14H2,1H3
InChIKeyAYOBCIMUADNSHM-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.84
Rot. Bonds6

About 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide

3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide (PubChem CID 50914019) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
PubChem CID50914019
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1cccc(CNS(=O)(=O)c2ccccc2)c1)c1cccnc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-9-6-12-21-15-18)20(24)17-8-5-7-16(13-17)14-22-27(25,26)19-10-3-2-4-11-19/h2-13,15,22H,14H2,1H3
InChIKeyAYOBCIMUADNSHM-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-methyl-N-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]butanamide
CID 141287527
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide (CID 50914019) is 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide is CN(C(=O)c1cccc(CNS(=O)(=O)c2ccccc2)c1)c1cccnc1.
What is the InChIKey of 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is AYOBCIMUADNSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(18-9-6-12-21-15-18)20(24)17-8-5-7-16(13-17)14-22-27(25,26)19-10-3-2-4-11-19/h2-13,15,22H,14H2,1H3.
What are the key properties of 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide?
3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50914019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).