4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide

C19H18BrN3O3S — CID 102563477

IUPAC4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C19H18BrN3O3S/c1-12(19-21-11-18(22-19)15-3-7-16(20)8-4-15)23-27(25,26)17-9-5-14(6-10-17)13(2)24/h3-12,23H,1-2H3,(H,21,22)
InChIKeyDEZRERUCYQPNSH-UHFFFAOYSA-N
MW448.34 g/mol
LogP4.08
Rot. Bonds6

About 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide

4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 102563477) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID102563477
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C19H18BrN3O3S/c1-12(19-21-11-18(22-19)15-3-7-16(20)8-4-15)23-27(25,26)17-9-5-14(6-10-17)13(2)24/h3-12,23H,1-2H3,(H,21,22)
InChIKeyDEZRERUCYQPNSH-UHFFFAOYSA-N
XLogP4.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
CID 99791201
methyl 3-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]benzoate
CID 99791199
N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91651576
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
methyl N-[(2S,3R)-1-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]amino]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401000
4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide
CID 113237505
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide (CID 102563477) is 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is DEZRERUCYQPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c1-12(19-21-11-18(22-19)15-3-7-16(20)8-4-15)23-27(25,26)17-9-5-14(6-10-17)13(2)24/h3-12,23H,1-2H3,(H,21,22).
What are the key properties of 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 448.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 102563477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).