2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide

C15H16ClFN2O4S2 — CID 42645535

IUPAC2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide
SMILESCC(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C15H16ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-9-13(17)6-7-15(14)24(18,20)21/h2-7,9-10,19H,8H2,1H3,(H2,18,20,21)
InChIKeyRPISIWMSRIPHRF-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide

2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide (PubChem CID 42645535) has the molecular formula C15H16ClFN2O4S2 and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide
PubChem CID42645535
Molecular FormulaC15H16ClFN2O4S2
Molecular Weight406.89 g/mol
Exact Mass406.02
IUPAC Name2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide
SMILESCC(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C15H16ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-9-13(17)6-7-15(14)24(18,20)21/h2-7,9-10,19H,8H2,1H3,(H2,18,20,21)
InChIKeyRPISIWMSRIPHRF-UHFFFAOYSA-N
XLogP2.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide (CID 42645535) is 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide is CC(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide?
The InChIKey is RPISIWMSRIPHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-9-13(17)6-7-15(14)24(18,20)21/h2-7,9-10,19H,8H2,1H3,(H2,18,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide?
2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide has a molecular weight of 406.89 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propan-2-ylsulfonylamino]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 42645535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).