3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C20H18ClN3O3S — CID 139390901

IUPAC3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyQGXUDXNUWMLRBW-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.77
Rot. Bonds6

About 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390901) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390901
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyQGXUDXNUWMLRBW-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

3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 25181605
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
3-[(2,4-dimethylphenyl)methylamino]-5-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 26140138
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910418
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109060958
1-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 56929337
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630388
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 139390901) is 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QGXUDXNUWMLRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
3-chloro-5-[(4-methylphenyl)sulfonylamino]-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-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).