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

C10H8ClFN2O2S2 — CID 134459368

IUPAC5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-4-8(12)9(5-7(6)11)18(15,16)14-10-13-2-3-17-10/h2-5H,1H3,(H,13,14)
InChIKeyKZTGHNRNNJWUAT-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.04
Rot. Bonds3

About 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134459368) has the molecular formula C10H8ClFN2O2S2 and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134459368
Molecular FormulaC10H8ClFN2O2S2
Molecular Weight306.77 g/mol
Exact Mass305.97
IUPAC Name5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C10H8ClFN2O2S2/c1-6-4-8(12)9(5-7(6)11)18(15,16)14-10-13-2-3-17-10/h2-5H,1H3,(H,13,14)
InChIKeyKZTGHNRNNJWUAT-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mls000757107
CID 324088
4-Chloro-N-thiazol-2-yl-benzenesulfonamide
CID 306826
2,4,6-Trimethyl-N-thiazol-2-yl-benzenesulfonamide
CID 787582
4-Ethyl-N-2-thiazolylbenzenesulfonamide
CID 791527
1-phenyl-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 743642
4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 403570
2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 661093
US11174268, Example 125
CID 134585751
rac-1-(4-chlorophenyl)-2-methyl-N-(thiazol-2-yl)propane-1-sulfonamide
CID 46226104
4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 697171
N-thiazol-2-yl-toluenesulfonamidate
CID 23089213
2-fluoro-N,4-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71870447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134459368) is 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KZTGHNRNNJWUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2S2/c1-6-4-8(12)9(5-7(6)11)18(15,16)14-10-13-2-3-17-10/h2-5H,1H3,(H,13,14).
What are the key properties of 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 306.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134459368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).