2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C11H8ClFN2O3S2 — CID 63946838

IUPAC2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H8ClFN2O3S2/c1-6-10(20(12,17)18)19-11(14-6)15-9(16)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16)
InChIKeyDHEKFJYFLQFXQZ-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.77
Rot. Bonds3

About 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63946838) has the molecular formula C11H8ClFN2O3S2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID63946838
Molecular FormulaC11H8ClFN2O3S2
Molecular Weight334.78 g/mol
Exact Mass333.96
IUPAC Name2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C11H8ClFN2O3S2/c1-6-10(20(12,17)18)19-11(14-6)15-9(16)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16)
InChIKeyDHEKFJYFLQFXQZ-UHFFFAOYSA-N
XLogP2.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946023
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944847
2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107096096
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
N-(2-chlorophenyl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468215
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63947443
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 63946838) is 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)c2ccc(F)cc2)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is DHEKFJYFLQFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3S2/c1-6-10(20(12,17)18)19-11(14-6)15-9(16)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 334.78 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63946838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).