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

C10H9FN2O2S2 — CID 174945014

IUPAC2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cscn2)c1F
InChIInChI=1S/C10H9FN2O2S2/c1-7-3-2-4-8(10(7)11)17(14,15)13-9-5-16-6-12-9/h2-6,13H,1H3
InChIKeyAPJPDQWBRAZYJH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.39
Rot. Bonds3

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

2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 174945014) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID174945014
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cscn2)c1F
InChIInChI=1S/C10H9FN2O2S2/c1-7-3-2-4-8(10(7)11)17(14,15)13-9-5-16-6-12-9/h2-6,13H,1H3
InChIKeyAPJPDQWBRAZYJH-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 118121063
2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 142722053
N-(1,3-thiazol-4-yl)methanesulfonamide
CID 135331205
3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 175969282
3-[(2-fluoro-3-methylphenyl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 138044503
4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 141418403
2,6-difluoro-4-[1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585261
5-chloro-2-fluoro-4-[3-(2-fluorophenyl)propoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175233055
5-chloro-4-[[(1R)-1-[3-[(dimethylamino)methyl]phenyl]ethyl]amino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585411
5-[(2-bromo-3,6-difluorophenyl)methylamino]-3-fluoro-6-methyl-N-(1,3-thiazol-4-yl)pyridine-2-sulfonamide
CID 146565805
5-chloro-4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585563
2,6-difluoro-4-[[2-fluoro-6-[(3-fluoroazetidin-1-yl)methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585332

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 174945014) is 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cscn2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is APJPDQWBRAZYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c1-7-3-2-4-8(10(7)11)17(14,15)13-9-5-16-6-12-9/h2-6,13H,1H3.
What are the key properties of 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 174945014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).