N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide

C17H20F2N2O2S — CID 38257263

IUPACN-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-2-21(15-7-4-3-5-8-15)12-6-11-20-24(22,23)17-10-9-14(18)13-16(17)19/h3-5,7-10,13,20H,2,6,11-12H2,1H3
InChIKeyZPRQNUBKSWTERW-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.16
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide

N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide (PubChem CID 38257263) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
PubChem CID38257263
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC NameN-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-2-21(15-7-4-3-5-8-15)12-6-11-20-24(22,23)17-10-9-14(18)13-16(17)19/h3-5,7-10,13,20H,2,6,11-12H2,1H3
InChIKeyZPRQNUBKSWTERW-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
CID 3863839
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
CID 55575736
N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
CID 51200722
tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
CID 55702797
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-ethylanilino)propyl]benzenesulfonamide
CID 100540888
N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565688

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide (CID 38257263) is N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide is CCN(CCCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ZPRQNUBKSWTERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-2-21(15-7-4-3-5-8-15)12-6-11-20-24(22,23)17-10-9-14(18)13-16(17)19/h3-5,7-10,13,20H,2,6,11-12H2,1H3.
What are the key properties of N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide?
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 354.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 38257263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).