N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide

C16H20FNO3S — CID 90574717

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC#CCOc1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H20FNO3S/c17-15-10-4-5-11-16(15)21-13-7-6-12-18-22(19,20)14-8-2-1-3-9-14/h4-5,10-11,14,18H,1-3,8-9,12-13H2
InChIKeyQUBWDVUGOFYJPH-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide

N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide (PubChem CID 90574717) has the molecular formula C16H20FNO3S and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide
PubChem CID90574717
Molecular FormulaC16H20FNO3S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC#CCOc1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H20FNO3S/c17-15-10-4-5-11-16(15)21-13-7-6-12-18-22(19,20)14-8-2-1-3-9-14/h4-5,10-11,14,18H,1-3,8-9,12-13H2
InChIKeyQUBWDVUGOFYJPH-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide
CID 90575051
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90574710
N-[4-(2-fluorophenoxy)but-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90574708
N-[3-(4-fluorophenyl)prop-2-ynyl]cyclohexanesulfonamide
CID 90552796
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-(3-fluorophenyl)methanesulfonamide
CID 90574709
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90574502
N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577892
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-nitrobenzenesulfonamide
CID 90574682
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide (CID 90574717) is N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide is O=S(=O)(NCC#CCOc1ccccc1F)C1CCCCC1.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide?
The InChIKey is QUBWDVUGOFYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3S/c17-15-10-4-5-11-16(15)21-13-7-6-12-18-22(19,20)14-8-2-1-3-9-14/h4-5,10-11,14,18H,1-3,8-9,12-13H2.
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide has a molecular weight of 325.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide is sourced from PubChem (CID 90574717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).