N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide

C21H18Cl2N2O5S — CID 17069604

IUPACN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1OC
InChIInChI=1S/C21H18Cl2N2O5S/c1-29-19-5-3-4-18(20(19)30-2)21(26)24-15-6-8-17(9-7-15)31(27,28)25-16-11-13(22)10-14(23)12-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyFFISNWSXUMCUKL-UHFFFAOYSA-N
MW481.36 g/mol
LogP5.06
Rot. Bonds7

About N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide (PubChem CID 17069604) has the molecular formula C21H18Cl2N2O5S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
PubChem CID17069604
Molecular FormulaC21H18Cl2N2O5S
Molecular Weight481.36 g/mol
Exact Mass480.03
IUPAC NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1OC
InChIInChI=1S/C21H18Cl2N2O5S/c1-29-19-5-3-4-18(20(19)30-2)21(26)24-15-6-8-17(9-7-15)31(27,28)25-16-11-13(22)10-14(23)12-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyFFISNWSXUMCUKL-UHFFFAOYSA-N
XLogP5.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 100530694
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 126415096
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 29418557
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 19680002
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide (CID 17069604) is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1OC.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The InChIKey is FFISNWSXUMCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O5S/c1-29-19-5-3-4-18(20(19)30-2)21(26)24-15-6-8-17(9-7-15)31(27,28)25-16-11-13(22)10-14(23)12-16/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide has a molecular weight of 481.36 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 17069604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).