N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide

C16H15BrN2O4S — CID 4509095

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O4S/c1-10-3-4-12(9-15(10)17)16(21)18-13-5-7-14(8-6-13)24(22,23)19-11(2)20/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeySMVYDDVQDXASDX-UHFFFAOYSA-N
MW411.28 g/mol
LogP2.83
Rot. Bonds4

About N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide

N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide (PubChem CID 4509095) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
PubChem CID4509095
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O4S/c1-10-3-4-12(9-15(10)17)16(21)18-13-5-7-14(8-6-13)24(22,23)19-11(2)20/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeySMVYDDVQDXASDX-UHFFFAOYSA-N
XLogP2.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
3-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3376202
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide (CID 4509095) is N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide?
The InChIKey is SMVYDDVQDXASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c1-10-3-4-12(9-15(10)17)16(21)18-13-5-7-14(8-6-13)24(22,23)19-11(2)20/h3-9H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide?
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide has a molecular weight of 411.28 g/mol, XLogP of 2.83, 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]-3-bromo-4-methylbenzamide is sourced from PubChem (CID 4509095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).