1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide

C21H18FNO3S — CID 90578344

IUPAC1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C21H18FNO3S/c22-19-12-10-17(11-13-19)16-27(24,25)23-14-3-4-15-26-21-9-5-7-18-6-1-2-8-20(18)21/h1-2,5-13,23H,14-16H2
InChIKeyZSRHJNLDCJVJAW-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide

1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide (PubChem CID 90578344) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
PubChem CID90578344
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C21H18FNO3S/c22-19-12-10-17(11-13-19)16-27(24,25)23-14-3-4-15-26-21-9-5-7-18-6-1-2-8-20(18)21/h1-2,5-13,23H,14-16H2
InChIKeyZSRHJNLDCJVJAW-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.48
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-fluorophenoxy)but-2-ynyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90574710
1-(3-methylphenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
CID 90578345
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-(3-fluorophenyl)methanesulfonamide
CID 90574709
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
N-[4-(2-chlorophenoxy)but-2-ynyl]-1-(3-fluorophenyl)methanesulfonamide
CID 90575062
1-(4-chlorophenyl)-N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577965
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71802980
N-(4-quinolin-8-yloxybut-2-ynyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90579988
3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
CID 90578310
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide (CID 90578344) is 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide?
The InChIKey is ZSRHJNLDCJVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c22-19-12-10-17(11-13-19)16-27(24,25)23-14-3-4-15-26-21-9-5-7-18-6-1-2-8-20(18)21/h1-2,5-13,23H,14-16H2.
What are the key properties of 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide is sourced from PubChem (CID 90578344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).