4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

C17H16BrN3O2S — CID 40663815

IUPAC4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m1/s1
InChIKeyVGUBHOQMNWBUOC-CYBMUJFWSA-N
MW406.31 g/mol
LogP3.67
Rot. Bonds5

About 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 40663815) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID40663815
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m1/s1
InChIKeyVGUBHOQMNWBUOC-CYBMUJFWSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 7307545
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 7306030

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (CID 40663815) is 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is VGUBHOQMNWBUOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 40663815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).