3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

C20H17BrN2O3S — CID 2210829

IUPAC3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br
InChIInChI=1S/C20H17BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyKKRKFJKOJMBTPP-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

About 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 2210829) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID2210829
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC Name3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br
InChIInChI=1S/C20H17BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyKKRKFJKOJMBTPP-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
3-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3376202
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 2210829) is 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is KKRKFJKOJMBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2210829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).