4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide

C15H17FN2O4S2 — CID 110408299

IUPAC4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H17FN2O4S2/c1-12-11-13(16)7-8-15(12)24(21,22)17-9-10-23(19,20)18-14-5-3-2-4-6-14/h2-8,11,17-18H,9-10H2,1H3
InChIKeyUFAMMGXGSJNBJN-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.85
Rot. Bonds7

About 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 110408299) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID110408299
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H17FN2O4S2/c1-12-11-13(16)7-8-15(12)24(21,22)17-9-10-23(19,20)18-14-5-3-2-4-6-14/h2-8,11,17-18H,9-10H2,1H3
InChIKeyUFAMMGXGSJNBJN-UHFFFAOYSA-N
XLogP1.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
CID 110601354
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-2-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 34152190
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide (CID 110408299) is 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is UFAMMGXGSJNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-12-11-13(16)7-8-15(12)24(21,22)17-9-10-23(19,20)18-14-5-3-2-4-6-14/h2-8,11,17-18H,9-10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110408299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).