3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C21H18Cl2N2O4S — CID 18626096

IUPAC3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-3-7-16(8-4-13)30(27,28)25-19-12-15(6-10-20(19)29-2)24-21(26)14-5-9-17(22)18(23)11-14/h3-12,25H,1-2H3,(H,24,26)
InChIKeyKDXHQXAHRNXQET-UHFFFAOYSA-N
MW465.36 g/mol
LogP5.36
Rot. Bonds6

About 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 18626096) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID18626096
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC Name3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-3-7-16(8-4-13)30(27,28)25-19-12-15(6-10-20(19)29-2)24-21(26)14-5-9-17(22)18(23)11-14/h3-12,25H,1-2H3,(H,24,26)
InChIKeyKDXHQXAHRNXQET-UHFFFAOYSA-N
XLogP5.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.36
LogP ≤ 55.36
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
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 4565436

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 18626096) is 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is KDXHQXAHRNXQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-13-3-7-16(8-4-13)30(27,28)25-19-12-15(6-10-20(19)29-2)24-21(26)14-5-9-17(22)18(23)11-14/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 465.36 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 18626096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).