4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

C13H16FN3O2S2 — CID 110397955

IUPAC4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(F)c(C)c2)cs1
InChIInChI=1S/C13H16FN3O2S2/c1-9-7-11(3-4-12(9)14)21(18,19)16-6-5-10-8-20-13(15-2)17-10/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyUKUWKUAVWQOWLE-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.15
Rot. Bonds6

About 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 110397955) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID110397955
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(F)c(C)c2)cs1
InChIInChI=1S/C13H16FN3O2S2/c1-9-7-11(3-4-12(9)14)21(18,19)16-6-5-10-8-20-13(15-2)17-10/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyUKUWKUAVWQOWLE-UHFFFAOYSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110284985
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110398001
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397987
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 110397955) is 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is CNc1nc(CCNS(=O)(=O)c2ccc(F)c(C)c2)cs1.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is UKUWKUAVWQOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-9-7-11(3-4-12(9)14)21(18,19)16-6-5-10-8-20-13(15-2)17-10/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110397955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).