N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide

C14H14ClFN2O2S — CID 107370419

IUPACN-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-12-8-10(15)7-11(16)9-12/h3-9,17-18H,2H2,1H3
InChIKeyGTQLCMRTGLPVMS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.71
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide

N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide (PubChem CID 107370419) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
PubChem CID107370419
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-12-8-10(15)7-11(16)9-12/h3-9,17-18H,2H2,1H3
InChIKeyGTQLCMRTGLPVMS-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
CID 62143114
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
4-chloro-N-(3-chloro-5-fluorophenyl)pyridine-3-sulfonamide
CID 104952426
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide (CID 107370419) is N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The InChIKey is GTQLCMRTGLPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-12-8-10(15)7-11(16)9-12/h3-9,17-18H,2H2,1H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 107370419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).