5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C19H19BrFN3O3S — CID 24541192

IUPAC5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1F)c1nccn1C
InChIInChI=1S/C19H19BrFN3O3S/c1-3-27-16-9-8-13(20)12-17(16)28(25,26)23-18(19-22-10-11-24(19)2)14-6-4-5-7-15(14)21/h4-12,18,23H,3H2,1-2H3
InChIKeyIDUVVOLRCHNFOM-UHFFFAOYSA-N
MW468.35 g/mol
LogP3.79
Rot. Bonds7

About 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 24541192) has the molecular formula C19H19BrFN3O3S and a molecular weight of 468.35 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID24541192
Molecular FormulaC19H19BrFN3O3S
Molecular Weight468.35 g/mol
Exact Mass467.03
IUPAC Name5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1F)c1nccn1C
InChIInChI=1S/C19H19BrFN3O3S/c1-3-27-16-9-8-13(20)12-17(16)28(25,26)23-18(19-22-10-11-24(19)2)14-6-4-5-7-15(14)21/h4-12,18,23H,3H2,1-2H3
InChIKeyIDUVVOLRCHNFOM-UHFFFAOYSA-N
XLogP3.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341405
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 46452551
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 18109066
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25348091
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42941103
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807
3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 24541192) is 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1F)c1nccn1C.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is IDUVVOLRCHNFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O3S/c1-3-27-16-9-8-13(20)12-17(16)28(25,26)23-18(19-22-10-11-24(19)2)14-6-4-5-7-15(14)21/h4-12,18,23H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 468.35 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24541192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).