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

C21H15Cl2N3O4S — CID 35864739

IUPAC3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3O4S/c1-30-20-8-5-15(25-21(27)14-4-2-3-13(9-14)12-24)10-19(20)26-31(28,29)16-6-7-17(22)18(23)11-16/h2-11,26H,1H3,(H,25,27)
InChIKeyGFCQYYSUUHGXKT-UHFFFAOYSA-N
MW476.34 g/mol
LogP4.93
Rot. Bonds6

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

3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide (PubChem CID 35864739) has the molecular formula C21H15Cl2N3O4S and a molecular weight of 476.34 g/mol. Its IUPAC name is 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
PubChem CID35864739
Molecular FormulaC21H15Cl2N3O4S
Molecular Weight476.34 g/mol
Exact Mass475.02
IUPAC Name3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3O4S/c1-30-20-8-5-15(25-21(27)14-4-2-3-13(9-14)12-24)10-19(20)26-31(28,29)16-6-7-17(22)18(23)11-16/h2-11,26H,1H3,(H,25,27)
InChIKeyGFCQYYSUUHGXKT-UHFFFAOYSA-N
XLogP4.93
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.34
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
(2R)-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]oxolane-2-carboxamide
CID 26853359
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide (CID 35864739) is 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2cccc(C#N)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The InChIKey is GFCQYYSUUHGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4S/c1-30-20-8-5-15(25-21(27)14-4-2-3-13(9-14)12-24)10-19(20)26-31(28,29)16-6-7-17(22)18(23)11-16/h2-11,26H,1H3,(H,25,27).
What are the key properties of 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide has a molecular weight of 476.34 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 35864739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).