4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C21H21N3O5S — CID 70572703

IUPAC4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-19-10-9-18(12-20(19)29-2)30(26,27)23-13-15-5-7-16(8-6-15)21(25)24-17-4-3-11-22-14-17/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyRQCNVXWWTGYHKY-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.83
Rot. Bonds8

About 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 70572703) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID70572703
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-19-10-9-18(12-20(19)29-2)30(26,27)23-13-15-5-7-16(8-6-15)21(25)24-17-4-3-11-22-14-17/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyRQCNVXWWTGYHKY-UHFFFAOYSA-N
XLogP2.83
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Way-151693
CID 4368
N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939
3-(1,3-benzodioxol-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390989
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 148499896
4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 984439
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1072969
N-{2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl}pyridine-4-carboxamide
CID 1076108
N-(2-Methoxy-4-p-tolylsulfamoyl-phenyl)-isonicotinamide
CID 1078654

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 70572703) is 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1OC.
What is the InChIKey of 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is RQCNVXWWTGYHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-28-19-10-9-18(12-20(19)29-2)30(26,27)23-13-15-5-7-16(8-6-15)21(25)24-17-4-3-11-22-14-17/h3-12,14,23H,13H2,1-2H3,(H,24,25).
What are the key properties of 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 427.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 70572703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).