N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide

C17H19BrN2O3S — CID 9220040

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-19-24(22,23)14-10-8-13(9-11-14)17(21)20-12(2)15-6-4-5-7-16(15)18/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySNJJJEFHPGRXGL-GFCCVEGCSA-N
MW411.32 g/mol
LogP3.24
Rot. Bonds6

About N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide

N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide (PubChem CID 9220040) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
PubChem CID9220040
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-19-24(22,23)14-10-8-13(9-11-14)17(21)20-12(2)15-6-4-5-7-16(15)18/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySNJJJEFHPGRXGL-GFCCVEGCSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[1-(2-bromophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 51149312
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-[1-(2-bromophenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide
CID 47046744

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide (CID 9220040) is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is SNJJJEFHPGRXGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-3-19-24(22,23)14-10-8-13(9-11-14)17(21)20-12(2)15-6-4-5-7-16(15)18/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 9220040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).