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

C12H14FN3O2S2 — CID 110719618

IUPAC4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCNc1nc(CNS(=O)(=O)c2ccc(F)cc2C)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-8-5-9(13)3-4-11(8)20(17,18)15-6-10-7-19-12(14-2)16-10/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyZOVBRSVFHYEHHK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.11
Rot. Bonds5

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

4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (PubChem CID 110719618) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
PubChem CID110719618
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCNc1nc(CNS(=O)(=O)c2ccc(F)cc2C)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-8-5-9(13)3-4-11(8)20(17,18)15-6-10-7-19-12(14-2)16-10/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyZOVBRSVFHYEHHK-UHFFFAOYSA-N
XLogP2.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
CID 110719640
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
4-fluoro-2-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873477
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
4-[(dimethylsulfamoylamino)methyl]-2-(methylamino)-1,3-thiazole
CID 110719604
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (CID 110719618) is 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is CNc1nc(CNS(=O)(=O)c2ccc(F)cc2C)cs1.
What is the InChIKey of 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is ZOVBRSVFHYEHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-8-5-9(13)3-4-11(8)20(17,18)15-6-10-7-19-12(14-2)16-10/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110719618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).