3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide

C15H17FN2O4S2 — CID 60579391

IUPAC3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-10(2)11-3-5-12(6-4-11)24(21,22)18-15-8-7-13(9-14(15)16)23(17,19)20/h3-10,18H,1-2H3,(H2,17,19,20)
InChIKeyJRXHJJVJHAXENR-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.40
Rot. Bonds5

About 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide

3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 60579391) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID60579391
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-10(2)11-3-5-12(6-4-11)24(21,22)18-15-8-7-13(9-14(15)16)23(17,19)20/h3-10,18H,1-2H3,(H2,17,19,20)
InChIKeyJRXHJJVJHAXENR-UHFFFAOYSA-N
XLogP2.40
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
CID 60579083
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide (CID 60579391) is 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is JRXHJJVJHAXENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-10(2)11-3-5-12(6-4-11)24(21,22)18-15-8-7-13(9-14(15)16)23(17,19)20/h3-10,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide?
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 60579391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).