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

C9H9BrN2O3S2 — CID 110714729

IUPAC5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Br)s2)co1
InChIInChI=1S/C9H9BrN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyUXQYJQXZDIUKHF-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.29
Rot. Bonds4

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

5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110714729) has the molecular formula C9H9BrN2O3S2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID110714729
Molecular FormulaC9H9BrN2O3S2
Molecular Weight337.22 g/mol
Exact Mass335.92
IUPAC Name5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Br)s2)co1
InChIInChI=1S/C9H9BrN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyUXQYJQXZDIUKHF-UHFFFAOYSA-N
XLogP2.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
CID 110714665
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide (CID 110714729) is 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Br)s2)co1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is UXQYJQXZDIUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3.
What are the key properties of 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 337.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110714729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).