N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide

C10H10BrN3O2S2 — CID 60893054

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1ncc(Br)s1
InChIInChI=1S/C10H10BrN3O2S2/c11-9-7-13-10(17-9)14-18(15,16)6-3-8-1-4-12-5-2-8/h1-2,4-5,7H,3,6H2,(H,13,14)
InChIKeyLHUHIQJKFVYNPP-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.29
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 60893054) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID60893054
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1ncc(Br)s1
InChIInChI=1S/C10H10BrN3O2S2/c11-9-7-13-10(17-9)14-18(15,16)6-3-8-1-4-12-5-2-8/h1-2,4-5,7H,3,6H2,(H,13,14)
InChIKeyLHUHIQJKFVYNPP-UHFFFAOYSA-N
XLogP2.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.29
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)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide (CID 60893054) is N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is LHUHIQJKFVYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c11-9-7-13-10(17-9)14-18(15,16)6-3-8-1-4-12-5-2-8/h1-2,4-5,7H,3,6H2,(H,13,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 2.29, 5 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)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60893054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).