N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide

C14H14F2N2O2S — CID 63233568

IUPACN-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-2-18(12-6-4-11(17)5-7-12)21(19,20)14-9-10(15)3-8-13(14)16/h3-9H,2,17H2,1H3
InChIKeyZRZQZJGPHYURDA-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.76
Rot. Bonds4

About N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide

N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide (PubChem CID 63233568) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
PubChem CID63233568
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-2-18(12-6-4-11(17)5-7-12)21(19,20)14-9-10(15)3-8-13(14)16/h3-9H,2,17H2,1H3
InChIKeyZRZQZJGPHYURDA-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 34043521
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide (CID 63233568) is N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide is CCN(c1ccc(N)cc1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The InChIKey is ZRZQZJGPHYURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-2-18(12-6-4-11(17)5-7-12)21(19,20)14-9-10(15)3-8-13(14)16/h3-9H,2,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 63233568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).