2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide

C17H19BrN2O3S — CID 2162853

IUPAC2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-3-12-19-24(22,23)14-10-8-13(9-11-14)20-17(21)15-6-4-5-7-16(15)18/h4-11,19H,2-3,12H2,1H3,(H,20,21)
InChIKeyNHVISNTXUGKLHM-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.78
Rot. Bonds7

About 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide

2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide (PubChem CID 2162853) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
PubChem CID2162853
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-3-12-19-24(22,23)14-10-8-13(9-11-14)20-17(21)15-6-4-5-7-16(15)18/h4-11,19H,2-3,12H2,1H3,(H,20,21)
InChIKeyNHVISNTXUGKLHM-UHFFFAOYSA-N
XLogP3.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10724138
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
CID 4251063
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide (CID 2162853) is 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide is CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide?
The InChIKey is NHVISNTXUGKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-3-12-19-24(22,23)14-10-8-13(9-11-14)20-17(21)15-6-4-5-7-16(15)18/h4-11,19H,2-3,12H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide?
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2162853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).