N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C15H12BrFN2O3S2 — CID 53057098

IUPACN-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1-c1ccno1
InChIInChI=1S/C15H12BrFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-12-4-3-10(16)7-11(12)17/h3-7,19H,1-2H3
InChIKeyMBDCYVFBQMMHQA-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.72
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057098) has the molecular formula C15H12BrFN2O3S2 and a molecular weight of 431.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057098
Molecular FormulaC15H12BrFN2O3S2
Molecular Weight431.31 g/mol
Exact Mass429.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1-c1ccno1
InChIInChI=1S/C15H12BrFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-12-4-3-10(16)7-11(12)17/h3-7,19H,1-2H3
InChIKeyMBDCYVFBQMMHQA-UHFFFAOYSA-N
XLogP4.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057084
N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057069
N-(2-bromo-4-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057224
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927031

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057098) is N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1-c1ccno1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is MBDCYVFBQMMHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O3S2/c1-8-14(13-5-6-18-22-13)15(9(2)23-8)24(20,21)19-12-4-3-10(16)7-11(12)17/h3-7,19H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 431.31 g/mol, XLogP of 4.72, 4 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)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).