2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide

C9H15ClN2O2S2 — CID 43455972

IUPAC2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O2S2/c1-6(2)4-7(3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3
InChIKeyFGZDHSGCHWVMOS-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455972) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID43455972
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O2S2/c1-6(2)4-7(3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3
InChIKeyFGZDHSGCHWVMOS-UHFFFAOYSA-N
XLogP2.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide (CID 43455972) is 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide is CC(C)CC(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FGZDHSGCHWVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S2/c1-6(2)4-7(3)12-16(13,14)8-5-11-9(10)15-8/h5-7,12H,4H2,1-3H3.
What are the key properties of 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 282.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).