N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide

C17H19BrN2O3S — CID 17226776

IUPACN-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O3S/c1-2-3-11-19-24(22,23)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyCZKIHJRUCSAXTJ-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.78
Rot. Bonds7

About N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide

N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide (PubChem CID 17226776) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
PubChem CID17226776
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O3S/c1-2-3-11-19-24(22,23)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21)
InChIKeyCZKIHJRUCSAXTJ-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-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226764
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide?
The IUPAC name of N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide (CID 17226776) is N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide?
The InChIKey is CZKIHJRUCSAXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-3-11-19-24(22,23)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)18/h4-10,12,19H,2-3,11H2,1H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide?
N-(2-bromophenyl)-3-(butylsulfamoyl)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 N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide is sourced from PubChem (CID 17226776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).