N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide

C20H17BrN2O3S — CID 51545693

IUPACN-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-13-16(21)9-12-19(14)22-20(24)15-7-10-18(11-8-15)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyRNCRNDVPMDBZFQ-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide

N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 51545693) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
PubChem CID51545693
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-13-16(21)9-12-19(14)22-20(24)15-7-10-18(11-8-15)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyRNCRNDVPMDBZFQ-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

N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 55945032
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(4-bromo-2-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46678558
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide (CID 51545693) is N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide is Cc1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is RNCRNDVPMDBZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-13-16(21)9-12-19(14)22-20(24)15-7-10-18(11-8-15)27(25,26)23-17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide?
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)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 N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 51545693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).