1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

C12H12ClFN2O2S2 — CID 99605996

IUPAC1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-4-10(13)2-3-11(9)14/h2-5,16H,6-7H2,1H3
InChIKeyJIOQHPHIIWRPNG-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.86
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 99605996) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID99605996
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-4-10(13)2-3-11(9)14/h2-5,16H,6-7H2,1H3
InChIKeyJIOQHPHIIWRPNG-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739043
1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 99718849
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
1-(2-bromo-4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103816329
1-(2,6-dichloro-3-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786339
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
1-(5-chloro-2-fluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 99841878
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
4-hydrazinyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 114128380

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 99605996) is 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)s1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is JIOQHPHIIWRPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-4-10(13)2-3-11(9)14/h2-5,16H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 99605996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).