N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide

C11H15ClFNO2S — CID 110790550

IUPACN-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-2-7-17(15,16)14-6-5-9-8-10(12)3-4-11(9)13/h3-4,8,14H,2,5-7H2,1H3
InChIKeyZHYVUQFOHWTBLM-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide

N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 110790550) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID110790550
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-2-7-17(15,16)14-6-5-9-8-10(12)3-4-11(9)13/h3-4,8,14H,2,5-7H2,1H3
InChIKeyZHYVUQFOHWTBLM-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
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N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
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CID 122140732

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide (CID 110790550) is N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1cc(Cl)ccc1F.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is ZHYVUQFOHWTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-2-7-17(15,16)14-6-5-9-8-10(12)3-4-11(9)13/h3-4,8,14H,2,5-7H2,1H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide?
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 279.76 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110790550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).