3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide

C20H16Cl2N2O4S — CID 18626240

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O4S/c1-28-19-10-7-13(20(25)23-14-5-3-2-4-6-14)11-18(19)24-29(26,27)15-8-9-16(21)17(22)12-15/h2-12,24H,1H3,(H,23,25)
InChIKeyBWPGLLYYDRJPDD-UHFFFAOYSA-N
MW451.33 g/mol
LogP5.06
Rot. Bonds6

About 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide (PubChem CID 18626240) has the molecular formula C20H16Cl2N2O4S and a molecular weight of 451.33 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
PubChem CID18626240
Molecular FormulaC20H16Cl2N2O4S
Molecular Weight451.33 g/mol
Exact Mass450.02
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O4S/c1-28-19-10-7-13(20(25)23-14-5-3-2-4-6-14)11-18(19)24-29(26,27)15-8-9-16(21)17(22)12-15/h2-12,24H,1H3,(H,23,25)
InChIKeyBWPGLLYYDRJPDD-UHFFFAOYSA-N
XLogP5.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.33
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide (CID 18626240) is 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide?
The InChIKey is BWPGLLYYDRJPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S/c1-28-19-10-7-13(20(25)23-14-5-3-2-4-6-14)11-18(19)24-29(26,27)15-8-9-16(21)17(22)12-15/h2-12,24H,1H3,(H,23,25).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide has a molecular weight of 451.33 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 18626240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).