N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide

C14H14ClFN2O2S — CID 62153791

IUPACN-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-10-7-8-11(15)12(16)9-10/h3-9,17-18H,2H2,1H3
InChIKeyKJJYYGSELWHWPX-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.71
Rot. Bonds5

About N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide (PubChem CID 62153791) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
PubChem CID62153791
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-10-7-8-11(15)12(16)9-10/h3-9,17-18H,2H2,1H3
InChIKeyKJJYYGSELWHWPX-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-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
CID 62143114
N-(4-chloro-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468313
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
N-[2-chloro-5-[(2,3-difluorophenyl)sulfonylamino]phenyl]acetamide
CID 60621433

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide (CID 62153791) is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
The InChIKey is KJJYYGSELWHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-2-17-13-5-3-4-6-14(13)21(19,20)18-10-7-8-11(15)12(16)9-10/h3-9,17-18H,2H2,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide?
N-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62153791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).