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

C21H21N3O4S — CID 139390930

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-5-6-17(21(25)23-14-16-4-3-11-22-13-16)12-20(15)24-29(26,27)19-9-7-18(28-2)8-10-19/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyWKJAIGXDADQOBB-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

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

3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390930) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390930
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-5-6-17(21(25)23-14-16-4-3-11-22-13-16)12-20(15)24-29(26,27)19-9-7-18(28-2)8-10-19/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyWKJAIGXDADQOBB-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139390930) is 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WKJAIGXDADQOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-5-6-17(21(25)23-14-16-4-3-11-22-13-16)12-20(15)24-29(26,27)19-9-7-18(28-2)8-10-19/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).