3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide

C7H6BrN3O3S2 — CID 106406982

IUPAC3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1sccc1Br
InChIInChI=1S/C7H6BrN3O3S2/c8-5-1-2-15-7(5)16(12,13)10-3-6-9-4-14-11-6/h1-2,4,10H,3H2
InChIKeyCGQXJRFVOBUNFV-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.37
Rot. Bonds4

About 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106406982) has the molecular formula C7H6BrN3O3S2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106406982
Molecular FormulaC7H6BrN3O3S2
Molecular Weight324.18 g/mol
Exact Mass322.90
IUPAC Name3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1sccc1Br
InChIInChI=1S/C7H6BrN3O3S2/c8-5-1-2-15-7(5)16(12,13)10-3-6-9-4-14-11-6/h1-2,4,10H,3H2
InChIKeyCGQXJRFVOBUNFV-UHFFFAOYSA-N
XLogP1.37
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 54952391
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61073396
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411026
2-bromo-4,6-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106406985
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide (CID 106406982) is 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ncon1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is CGQXJRFVOBUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3S2/c8-5-1-2-15-7(5)16(12,13)10-3-6-9-4-14-11-6/h1-2,4,10H,3H2.
What are the key properties of 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 324.18 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).