4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide

C18H21BrN2O3S — CID 26698316

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-13(14-8-6-5-7-9-14)21(4)18(22)15-10-11-16(19)17(12-15)25(23,24)20(2)3/h5-13H,1-4H3/t13-/m0/s1
InChIKeyBJOHTAANYOELSJ-ZDUSSCGKSA-N
MW425.35 g/mol
LogP3.53
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 26698316) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID26698316
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-13(14-8-6-5-7-9-14)21(4)18(22)15-10-11-16(19)17(12-15)25(23,24)20(2)3/h5-13H,1-4H3/t13-/m0/s1
InChIKeyBJOHTAANYOELSJ-ZDUSSCGKSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
2-[[3-bromo-4-(dimethylsulfamoyl)benzoyl]-methylamino]propanoic acid
CID 119209286
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227498

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide (CID 26698316) is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide is C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is BJOHTAANYOELSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-13(14-8-6-5-7-9-14)21(4)18(22)15-10-11-16(19)17(12-15)25(23,24)20(2)3/h5-13H,1-4H3/t13-/m0/s1.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 425.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 26698316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).