2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C9H9ClN2O3S2 — CID 43415391

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C9H9ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-5-7-3-2-4-15-7/h2-4,11H,5H2,1H3
InChIKeyYLJJZKSKXYBKSQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.18
Rot. Bonds4

About 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43415391) has the molecular formula C9H9ClN2O3S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43415391
Molecular FormulaC9H9ClN2O3S2
Molecular Weight292.77 g/mol
Exact Mass291.97
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C9H9ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-5-7-3-2-4-15-7/h2-4,11H,5H2,1H3
InChIKeyYLJJZKSKXYBKSQ-UHFFFAOYSA-N
XLogP2.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43415391) is 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YLJJZKSKXYBKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-5-7-3-2-4-15-7/h2-4,11H,5H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).