4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide

C12H17ClFNO2S — CID 107858607

IUPAC4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1F
InChIInChI=1S/C12H17ClFNO2S/c1-10(11-6-2-3-7-12(11)14)15-18(16,17)9-5-4-8-13/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyYYXUPAGYMMFYHS-SNVBAGLBSA-N
MW293.79 g/mol
LogP2.83
Rot. Bonds7

About 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide

4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide (PubChem CID 107858607) has the molecular formula C12H17ClFNO2S and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
PubChem CID107858607
Molecular FormulaC12H17ClFNO2S
Molecular Weight293.79 g/mol
Exact Mass293.07
IUPAC Name4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1F
InChIInChI=1S/C12H17ClFNO2S/c1-10(11-6-2-3-7-12(11)14)15-18(16,17)9-5-4-8-13/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyYYXUPAGYMMFYHS-SNVBAGLBSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
CID 107858602
3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877229
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propane-1-sulfonamide
CID 54877728
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide (CID 107858607) is 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The InChIKey is YYXUPAGYMMFYHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17ClFNO2S/c1-10(11-6-2-3-7-12(11)14)15-18(16,17)9-5-4-8-13/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide has a molecular weight of 293.79 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 107858607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).