N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide

C21H18Cl2N2O4S — CID 984403

IUPACN-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C21H18Cl2N2O4S/c1-29-17-3-2-4-18(12-17)30(27,28)24-13-14-5-7-15(8-6-14)21(26)25-16-9-10-19(22)20(23)11-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyNJNSENJNQOYRFC-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.73
Rot. Bonds7

About N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide

N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 984403) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID984403
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC NameN-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C21H18Cl2N2O4S/c1-29-17-3-2-4-18(12-17)30(27,28)24-13-14-5-7-15(8-6-14)21(26)25-16-9-10-19(22)20(23)11-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyNJNSENJNQOYRFC-UHFFFAOYSA-N
XLogP4.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 984403) is N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is NJNSENJNQOYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-29-17-3-2-4-18(12-17)30(27,28)24-13-14-5-7-15(8-6-14)21(26)25-16-9-10-19(22)20(23)11-16/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 465.36 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 984403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).