N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C17H14BrFN2O4S — CID 53094791

IUPACN-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H14BrFN2O4S/c1-10-7-15(25-20-10)11-3-6-17(16(8-11)24-2)26(22,23)21-14-5-4-12(18)9-13(14)19/h3-9,21H,1-2H3
InChIKeyBMPOCSWGMYVDPQ-UHFFFAOYSA-N
MW441.28 g/mol
LogP4.36
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094791) has the molecular formula C17H14BrFN2O4S and a molecular weight of 441.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094791
Molecular FormulaC17H14BrFN2O4S
Molecular Weight441.28 g/mol
Exact Mass439.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H14BrFN2O4S/c1-10-7-15(25-20-10)11-3-6-17(16(8-11)24-2)26(22,23)21-14-5-4-12(18)9-13(14)19/h3-9,21H,1-2H3
InChIKeyBMPOCSWGMYVDPQ-UHFFFAOYSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094934
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 53094791) is N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is BMPOCSWGMYVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O4S/c1-10-7-15(25-20-10)11-3-6-17(16(8-11)24-2)26(22,23)21-14-5-4-12(18)9-13(14)19/h3-9,21H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 441.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).