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

C21H19BrN2O5S — CID 100530694

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1OC
InChIInChI=1S/C21H19BrN2O5S/c1-28-19-5-3-4-18(20(19)29-2)21(25)23-15-10-12-17(13-11-15)30(26,27)24-16-8-6-14(22)7-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyHLZJOIUEQKRENY-UHFFFAOYSA-N
MW491.36 g/mol
LogP4.52
Rot. Bonds7

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

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide (PubChem CID 100530694) has the molecular formula C21H19BrN2O5S and a molecular weight of 491.36 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
PubChem CID100530694
Molecular FormulaC21H19BrN2O5S
Molecular Weight491.36 g/mol
Exact Mass490.02
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1OC
InChIInChI=1S/C21H19BrN2O5S/c1-28-19-5-3-4-18(20(19)29-2)21(25)23-15-10-12-17(13-11-15)30(26,27)24-16-8-6-14(22)7-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyHLZJOIUEQKRENY-UHFFFAOYSA-N
XLogP4.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 17069604
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide (CID 100530694) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1OC.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
The InChIKey is HLZJOIUEQKRENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O5S/c1-28-19-5-3-4-18(20(19)29-2)21(25)23-15-10-12-17(13-11-15)30(26,27)24-16-8-6-14(22)7-9-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide has a molecular weight of 491.36 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 100530694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).