2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

C17H16BrN3O3S — CID 67700517

IUPAC2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2Br)ccc1-n1cnc(C)c1
InChIInChI=1S/C17H16BrN3O3S/c1-12-10-21(11-19-12)15-8-7-13(9-16(15)24-2)20-25(22,23)17-6-4-3-5-14(17)18/h3-11,20H,1-2H3
InChIKeyYEEQKUNAJIFWHT-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.75
Rot. Bonds5

About 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 67700517) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID67700517
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC Name2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2Br)ccc1-n1cnc(C)c1
InChIInChI=1S/C17H16BrN3O3S/c1-12-10-21(11-19-12)15-8-7-13(9-16(15)24-2)20-25(22,23)17-6-4-3-5-14(17)18/h3-11,20H,1-2H3
InChIKeyYEEQKUNAJIFWHT-UHFFFAOYSA-N
XLogP3.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67702345
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67808781
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
N-(2-bromophenyl)-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 66856997
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
2-[(1S)-1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]benzenesulfonamide
CID 140531619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 67700517) is 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2Br)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is YEEQKUNAJIFWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c1-12-10-21(11-19-12)15-8-7-13(9-16(15)24-2)20-25(22,23)17-6-4-3-5-14(17)18/h3-11,20H,1-2H3.
What are the key properties of 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 422.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67700517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).