2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide

C12H12ClFN2O2S2 — CID 60744561

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)15-8)20(17,18)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3
InChIKeyQEJRLHYYJDTGAC-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.06
Rot. Bonds4

About 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 60744561) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID60744561
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)15-8)20(17,18)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3
InChIKeyQEJRLHYYJDTGAC-UHFFFAOYSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 60744561) is 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is QEJRLHYYJDTGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)15-8)20(17,18)16(2)7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).