N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide

C15H13BrN2O4S2 — CID 141224728

IUPACN-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1c(NS(=O)(=O)c2cccs2)cccc1-c1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O4S2/c1-9-13(16)15(22-17-9)10-5-3-6-11(14(10)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3
InChIKeyXKGVFCJHTBBYIX-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide

N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 141224728) has the molecular formula C15H13BrN2O4S2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID141224728
Molecular FormulaC15H13BrN2O4S2
Molecular Weight429.32 g/mol
Exact Mass427.95
IUPAC NameN-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1c(NS(=O)(=O)c2cccs2)cccc1-c1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O4S2/c1-9-13(16)15(22-17-9)10-5-3-6-11(14(10)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3
InChIKeyXKGVFCJHTBBYIX-UHFFFAOYSA-N
XLogP4.28
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide
CID 141224692
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
CID 51094585
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 43067087
N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
2-methyl-6-(thiophen-2-ylsulfonylamino)benzenediazonium
CID 101027310
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide (CID 141224728) is N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide is COc1c(NS(=O)(=O)c2cccs2)cccc1-c1onc(C)c1Br.
What is the InChIKey of N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is XKGVFCJHTBBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S2/c1-9-13(16)15(22-17-9)10-5-3-6-11(14(10)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3.
What are the key properties of N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 429.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 141224728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).