N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide

C16H15ClFNO4S — CID 60552057

IUPACN-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO4S/c17-12-7-9-13(10-8-12)24(21,22)19-16(20)6-3-11-23-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
InChIKeyHPWNEMJQMLVVDM-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.14
Rot. Bonds7

About N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide

N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide (PubChem CID 60552057) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
PubChem CID60552057
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1F)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO4S/c17-12-7-9-13(10-8-12)24(21,22)19-16(20)6-3-11-23-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20)
InChIKeyHPWNEMJQMLVVDM-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide
CID 60554783
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 18124124
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide (CID 60552057) is N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide is O=C(CCCOc1ccccc1F)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide?
The InChIKey is HPWNEMJQMLVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c17-12-7-9-13(10-8-12)24(21,22)19-16(20)6-3-11-23-15-5-2-1-4-14(15)18/h1-2,4-5,7-10H,3,6,11H2,(H,19,20).
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide?
N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide has a molecular weight of 371.82 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 60552057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).