N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

C17H19BrN2O3S — CID 7733491

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-12(13-7-9-15(18)10-8-13)19-17(21)14-5-4-6-16(11-14)24(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyIIJKDBPLYQUREX-GFCCVEGCSA-N
MW411.32 g/mol
LogP3.19
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 7733491) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID7733491
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-12(13-7-9-15(18)10-8-13)19-17(21)14-5-4-6-16(11-14)24(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyIIJKDBPLYQUREX-GFCCVEGCSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55893625
3-(dimethylsulfamoyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626406
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125076333
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626425

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 7733491) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is IIJKDBPLYQUREX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12(13-7-9-15(18)10-8-13)19-17(21)14-5-4-6-16(11-14)24(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 7733491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).