4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

C19H25FN2O2S2 — CID 167899545

IUPAC4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)cc1F
InChIInChI=1S/C19H25FN2O2S2/c1-19(2,3)15-10-9-14(11-16(15)20)26(23,24)22-18-21-17(12-25-18)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,21,22)
InChIKeyFMUZIWPHBYEZLJ-UHFFFAOYSA-N
MW396.55 g/mol
LogP5.43
Rot. Bonds4

About 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 167899545) has the molecular formula C19H25FN2O2S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
PubChem CID167899545
Molecular FormulaC19H25FN2O2S2
Molecular Weight396.55 g/mol
Exact Mass396.13
IUPAC Name4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)cc1F
InChIInChI=1S/C19H25FN2O2S2/c1-19(2,3)15-10-9-14(11-16(15)20)26(23,24)22-18-21-17(12-25-18)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,21,22)
InChIKeyFMUZIWPHBYEZLJ-UHFFFAOYSA-N
XLogP5.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 167879332
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
CID 62157211
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327011
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-4-sulfonamide
CID 62158122
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61480656
3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106053656
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157575
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 61480808
6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 115606342
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (CID 167899545) is 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C3CCCCC3)cs2)cc1F.
What is the InChIKey of 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is FMUZIWPHBYEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S2/c1-19(2,3)15-10-9-14(11-16(15)20)26(23,24)22-18-21-17(12-25-18)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 396.55 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-cyclohexyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 167899545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).