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

C11H10ClFN2O2S2 — CID 47076190

IUPAC4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cscn1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-15(5-9-6-18-7-14-9)19(16,17)11-3-2-8(12)4-10(11)13/h2-4,6-7H,5H2,1H3
InChIKeyWDZJDDOHQYLNRV-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.76
Rot. Bonds4

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

4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 47076190) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID47076190
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cscn1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O2S2/c1-15(5-9-6-18-7-14-9)19(16,17)11-3-2-8(12)4-10(11)13/h2-4,6-7H,5H2,1H3
InChIKeyWDZJDDOHQYLNRV-UHFFFAOYSA-N
XLogP2.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 81451042
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 62145861
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021
3-bromo-5-(hydroxymethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 81480596
3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
CID 55013803
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-4-sulfonamide
CID 62148150
4-bromo-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 116528525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 47076190) is 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is CN(Cc1cscn1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is WDZJDDOHQYLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-15(5-9-6-18-7-14-9)19(16,17)11-3-2-8(12)4-10(11)13/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47076190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).