N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide

C19H22FN3O4S — CID 34523393

IUPACN,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(26,27)16-10-7-9-15(12-16)19(25)22-21-18(24)13-14-8-5-6-11-17(14)20/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRYSUBYDFNSXPNJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.86
Rot. Bonds7

About N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 34523393) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID34523393
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(26,27)16-10-7-9-15(12-16)19(25)22-21-18(24)13-14-8-5-6-11-17(14)20/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyRYSUBYDFNSXPNJ-UHFFFAOYSA-N
XLogP1.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
3-[[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 24638380
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide (CID 34523393) is N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is RYSUBYDFNSXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-3-23(4-2)28(26,27)16-10-7-9-15(12-16)19(25)22-21-18(24)13-14-8-5-6-11-17(14)20/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 407.47 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 34523393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).