N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide

C17H19FN2O4S — CID 55913663

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19FN2O4S/c1-3-19(13(2)15-6-8-16(18)9-7-15)25(23,24)12-14-4-10-17(11-5-14)20(21)22/h4-11,13H,3,12H2,1-2H3
InChIKeyIOQRUERHLPRRFF-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide (PubChem CID 55913663) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
PubChem CID55913663
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19FN2O4S/c1-3-19(13(2)15-6-8-16(18)9-7-15)25(23,24)12-14-4-10-17(11-5-14)20(21)22/h4-11,13H,3,12H2,1-2H3
InChIKeyIOQRUERHLPRRFF-UHFFFAOYSA-N
XLogP3.65
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide
CID 57099168
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574734
N-ethyl-1-(4-nitrophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 154750058
N-(2-cyanopropyl)-N-methyl-1-(4-nitrophenyl)methanesulfonamide
CID 47402468
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
N-ethyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 142401985
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122132337
N-methyl-2-(4-nitrophenyl)-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 75518555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide (CID 55913663) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide?
The InChIKey is IOQRUERHLPRRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-19(13(2)15-6-8-16(18)9-7-15)25(23,24)12-14-4-10-17(11-5-14)20(21)22/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 55913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).