N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

C17H19BrN2O3S — CID 3627107

IUPACN-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-9-6-13(7-10-16)8-11-17(21)20-15-5-3-4-14(18)12-15/h3-7,9-10,12,19H,2,8,11H2,1H3,(H,20,21)
InChIKeyCARSLJKIDZQUJK-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.32
Rot. Bonds7

About N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 3627107) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID3627107
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-9-6-13(7-10-16)8-11-17(21)20-15-5-3-4-14(18)12-15/h3-7,9-10,12,19H,2,8,11H2,1H3,(H,20,21)
InChIKeyCARSLJKIDZQUJK-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (CID 3627107) is N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is CARSLJKIDZQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-9-6-13(7-10-16)8-11-17(21)20-15-5-3-4-14(18)12-15/h3-7,9-10,12,19H,2,8,11H2,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 411.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3627107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).