N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide

C11H16FNO2S — CID 43453699

IUPACN-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-4-13(9(2)3)16(14,15)11-7-5-10(12)6-8-11/h5-9H,4H2,1-3H3
InChIKeyPEULSHIZPSTRCX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.24
Rot. Bonds4

About N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide

N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 43453699) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID43453699
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-4-13(9(2)3)16(14,15)11-7-5-10(12)6-8-11/h5-9H,4H2,1-3H3
InChIKeyPEULSHIZPSTRCX-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829440
N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
CID 142470252
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
CID 61357200
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 8705344
4-(3-aminoprop-1-ynyl)-N-ethyl-3-fluoro-N-propan-2-ylbenzenesulfonamide
CID 107652699
N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2806010
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 113370372
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide (CID 43453699) is N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PEULSHIZPSTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-4-13(9(2)3)16(14,15)11-7-5-10(12)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide?
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43453699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).