N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide

C15H13BrN2O4S — CID 4134405

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O4S/c1-10(19)18-23(21,22)14-8-6-13(7-9-14)17-15(20)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyMZBSPWSQSHDGJC-UHFFFAOYSA-N
MW397.25 g/mol
LogP2.53
Rot. Bonds4

About N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide

N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide (PubChem CID 4134405) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
PubChem CID4134405
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O4S/c1-10(19)18-23(21,22)14-8-6-13(7-9-14)17-15(20)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyMZBSPWSQSHDGJC-UHFFFAOYSA-N
XLogP2.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
CID 164610308
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
CID 118706841
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide (CID 4134405) is N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide?
The InChIKey is MZBSPWSQSHDGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S/c1-10(19)18-23(21,22)14-8-6-13(7-9-14)17-15(20)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide has a molecular weight of 397.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide is sourced from PubChem (CID 4134405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).