N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide

C7H10BrN3O3S2 — CID 60784975

IUPACN-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)N1CCOCC1
InChIInChI=1S/C7H10BrN3O3S2/c8-6-5-9-7(15-6)10-16(12,13)11-1-3-14-4-2-11/h5H,1-4H2,(H,9,10)
InChIKeyCOEFAPDGDBETRE-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.89
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide (PubChem CID 60784975) has the molecular formula C7H10BrN3O3S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide
PubChem CID60784975
Molecular FormulaC7H10BrN3O3S2
Molecular Weight328.21 g/mol
Exact Mass326.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)N1CCOCC1
InChIInChI=1S/C7H10BrN3O3S2/c8-6-5-9-7(15-6)10-16(12,13)11-1-3-14-4-2-11/h5H,1-4H2,(H,9,10)
InChIKeyCOEFAPDGDBETRE-UHFFFAOYSA-N
XLogP0.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide (CID 60784975) is N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide is O=S(=O)(Nc1ncc(Br)s1)N1CCOCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide?
The InChIKey is COEFAPDGDBETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O3S2/c8-6-5-9-7(15-6)10-16(12,13)11-1-3-14-4-2-11/h5H,1-4H2,(H,9,10).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide has a molecular weight of 328.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 60784975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).