5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride

C15H14ClFO4S2 — CID 57430825

IUPAC5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H14ClFO4S2/c1-10(2)14-8-7-13(9-15(14)23(16,20)21)22(18,19)12-5-3-11(17)4-6-12/h3-10H,1-2H3
InChIKeyYJCRIBXNBRIWKJ-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.71
Rot. Bonds4

About 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride

5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride (PubChem CID 57430825) has the molecular formula C15H14ClFO4S2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
PubChem CID57430825
Molecular FormulaC15H14ClFO4S2
Molecular Weight376.86 g/mol
Exact Mass376.00
IUPAC Name5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H14ClFO4S2/c1-10(2)14-8-7-13(9-15(14)23(16,20)21)22(18,19)12-5-3-11(17)4-6-12/h3-10H,1-2H3
InChIKeyYJCRIBXNBRIWKJ-UHFFFAOYSA-N
XLogP3.71
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride
CID 57497788
5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
CID 69116642
5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
CID 57430282
2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
CID 155943282
N-cyclopentyl-5-(4-fluorophenyl)sulfonyl-2,4-di(propan-2-yl)benzenesulfonamide
CID 57430483
ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
CID 143079369
4-chloro-3-propan-2-ylbenzenesulfonyl chloride
CID 58268238
5-chlorosulfonyl-2-fluoro-4-propan-2-ylbenzoic acid
CID 18188070
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
9-fluoro-11,11-dihydroxy-6-oxo-3-propan-2-yl-5H-benzo[b][1,4]benzothiazepine-2-sulfonyl chloride
CID 87720309
2,4-bis[(4-chlorophenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696725
CID 131852252
CID 131852252

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride (CID 57430825) is 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride is CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is YJCRIBXNBRIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO4S2/c1-10(2)14-8-7-13(9-15(14)23(16,20)21)22(18,19)12-5-3-11(17)4-6-12/h3-10H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride?
5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 376.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 57430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).