3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

C20H18ClN3O3S — CID 139390941

IUPAC3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-4-5-16(20(25)23-13-15-3-2-10-22-12-15)11-19(14)24-28(26,27)18-8-6-17(21)7-9-18/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyPUQGQVWZAUEUKL-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.77
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390941) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390941
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-4-5-16(20(25)23-13-15-3-2-10-22-12-15)11-19(14)24-28(26,27)18-8-6-17(21)7-9-18/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyPUQGQVWZAUEUKL-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
CID 4875182
6-chloro-N-{3-[(4-chlorophenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 5082311
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
4-Methyl-3-((4-methylphenyl)sulfonamido)-N-(pyridin-3-ylmethyl)benzamide
CID 17618132

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139390941) is 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PUQGQVWZAUEUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-4-5-16(20(25)23-13-15-3-2-10-22-12-15)11-19(14)24-28(26,27)18-8-6-17(21)7-9-18/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).