N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide

C10H11ClFNO3S — CID 174559261

IUPACN-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(C=O)c1F
InChIInChI=1S/C10H11ClFNO3S/c1-2-3-17(15,16)13-9-5-8(11)4-7(6-14)10(9)12/h4-6,13H,2-3H2,1H3
InChIKeyYPVJCJGGMHGQFZ-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.44
Rot. Bonds5

About N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide

N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide (PubChem CID 174559261) has the molecular formula C10H11ClFNO3S and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide
PubChem CID174559261
Molecular FormulaC10H11ClFNO3S
Molecular Weight279.72 g/mol
Exact Mass279.01
IUPAC NameN-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(C=O)c1F
InChIInChI=1S/C10H11ClFNO3S/c1-2-3-17(15,16)13-9-5-8(11)4-7(6-14)10(9)12/h4-6,13H,2-3H2,1H3
InChIKeyYPVJCJGGMHGQFZ-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide (CID 174559261) is N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Cl)cc(C=O)c1F.
What is the InChIKey of N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide?
The InChIKey is YPVJCJGGMHGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3S/c1-2-3-17(15,16)13-9-5-8(11)4-7(6-14)10(9)12/h4-6,13H,2-3H2,1H3.
What are the key properties of N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide?
N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide has a molecular weight of 279.72 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluoro-3-formylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 174559261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).