2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide

C12H15ClFNO2S — CID 107651000

IUPAC2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H15ClFNO2S/c13-7-8-18(16,17)15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2
InChIKeyYYGIWQJMTZCYEF-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide

2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 107651000) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID107651000
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H15ClFNO2S/c13-7-8-18(16,17)15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2
InChIKeyYYGIWQJMTZCYEF-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 107651000) is 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCCl)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is YYGIWQJMTZCYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-7-8-18(16,17)15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 291.77 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107651000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).