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

C8H13ClN2O3S2 — CID 64603615

IUPAC2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-6(3-4-14-2)11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3
InChIKeyLGNJVZDXDXPCAM-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.50
Rot. Bonds6

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

2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 64603615) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID64603615
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-6(3-4-14-2)11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3
InChIKeyLGNJVZDXDXPCAM-UHFFFAOYSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 61251576
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64603212
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 43455982
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
CID 113406898
2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidine-5-sulfonamide
CID 64605702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide (CID 64603615) is 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide is COCCC(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is LGNJVZDXDXPCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-6(3-4-14-2)11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64603615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).