N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide

C16H19FN2O2S2 — CID 167923994

IUPACN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(F)c1
InChIInChI=1S/C16H19FN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyZTAXFQZJTXDOBP-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.44
Rot. Bonds4

About N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide

N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 167923994) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide
PubChem CID167923994
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC NameN-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(F)c1
InChIInChI=1S/C16H19FN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyZTAXFQZJTXDOBP-UHFFFAOYSA-N
XLogP4.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide (CID 167923994) is N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)c(F)c1.
What is the InChIKey of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is ZTAXFQZJTXDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c1-11-7-8-15(13(17)9-11)23(20,21)19-16-18-14(10-22-16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide?
N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 167923994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).