4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide

C11H13ClFNO3S — CID 70931222

IUPAC4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)CC)c(Cl)cc1F
InChIInChI=1S/C11H13ClFNO3S/c1-3-10(15)7-5-11(9(13)6-8(7)12)18(16,17)14-4-2/h5-6,14H,3-4H2,1-2H3
InChIKeyHPDXRRRBIKGRBC-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.37
Rot. Bonds5

About 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide

4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide (PubChem CID 70931222) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide
PubChem CID70931222
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)CC)c(Cl)cc1F
InChIInChI=1S/C11H13ClFNO3S/c1-3-10(15)7-5-11(9(13)6-8(7)12)18(16,17)14-4-2/h5-6,14H,3-4H2,1-2H3
InChIKeyHPDXRRRBIKGRBC-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-2-fluoro-5-propanoylbenzenesulfonamide
CID 70931223
2-chloro-5-(2,2-dimethylpropanoyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 58960986
2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide
CID 70931275
3-chloro-5-(ethylsulfamoyl)-2,4-difluorobenzoic acid
CID 59591393
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
N-(2-chloro-4-fluoro-5-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
CID 71017015
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988
decyl 2,4-dichloro-5-(ethylsulfamoyl)benzoate
CID 59912480
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
ethyl 2-chloro-4-fluoro-5-fluorosulfonylbenzoate
CID 165453287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide (CID 70931222) is 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide is CCNS(=O)(=O)c1cc(C(=O)CC)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide?
The InChIKey is HPDXRRRBIKGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c1-3-10(15)7-5-11(9(13)6-8(7)12)18(16,17)14-4-2/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide?
4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide has a molecular weight of 293.75 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-5-propanoylbenzenesulfonamide is sourced from PubChem (CID 70931222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).