N-ethyl-2-fluoro-4-methylbenzenesulfonamide

C9H12FNO2S — CID 130158865

IUPACN-ethyl-2-fluoro-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C9H12FNO2S/c1-3-11-14(12,13)9-5-4-7(2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyWZICFPZLZTXRJB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.43
Rot. Bonds3

About N-ethyl-2-fluoro-4-methylbenzenesulfonamide

N-ethyl-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 130158865) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-methylbenzenesulfonamide
PubChem CID130158865
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC NameN-ethyl-2-fluoro-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C9H12FNO2S/c1-3-11-14(12,13)9-5-4-7(2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyWZICFPZLZTXRJB-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-ethyl-4-methyl-2-trimethylsilylbenzenesulfonamide
CID 10730846
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid
CID 154862951
N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide
CID 10804527
2-fluoro-1-(2-fluorophenyl)sulfonyl-4-methylbenzene
CID 162721199
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-4-methylbenzenesulfonamide (CID 130158865) is N-ethyl-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is WZICFPZLZTXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-11-14(12,13)9-5-4-7(2)6-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
N-ethyl-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 130158865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).