N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide

C20H16BrClN2O3S — CID 60514790

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25)
InChIKeyMMUANUZFBCMORU-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.46
Rot. Bonds5

About N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide (PubChem CID 60514790) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
PubChem CID60514790
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25)
InChIKeyMMUANUZFBCMORU-UHFFFAOYSA-N
XLogP5.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide (CID 60514790) is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide?
The InChIKey is MMUANUZFBCMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide has a molecular weight of 479.78 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 60514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).