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

C15H13BrN2O4S2 — CID 141224692

IUPACN-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cccs2)c1-c1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)13-10(5-3-6-11(13)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3
InChIKeyCQZDPEJMYVPXLC-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.28
Rot. Bonds5

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

N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 141224692) has the molecular formula C15H13BrN2O4S2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID141224692
Molecular FormulaC15H13BrN2O4S2
Molecular Weight429.32 g/mol
Exact Mass427.95
IUPAC NameN-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cccs2)c1-c1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)13-10(5-3-6-11(13)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3
InChIKeyCQZDPEJMYVPXLC-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide (CID 141224692) is N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide is COc1cccc(NS(=O)(=O)c2cccs2)c1-c1onc(C)c1Br.
What is the InChIKey of N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is CQZDPEJMYVPXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)13-10(5-3-6-11(13)21-2)18-24(19,20)12-7-4-8-23-12/h3-8,18H,1-2H3.
What are the key properties of N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide?
N-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-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-[2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 141224692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).