N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide

C18H18FNO2S — CID 67558227

IUPACN-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide
SMILESCN(C1=C(c2ccc(F)cc2)CCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18FNO2S/c1-20(23(21,22)16-6-3-2-4-7-16)18-9-5-8-17(18)14-10-12-15(19)13-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyIYEVZSWQRHPNSZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.04
Rot. Bonds4

About N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide

N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide (PubChem CID 67558227) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide
PubChem CID67558227
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC NameN-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide
SMILESCN(C1=C(c2ccc(F)cc2)CCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18FNO2S/c1-20(23(21,22)16-6-3-2-4-7-16)18-9-5-8-17(18)14-10-12-15(19)13-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyIYEVZSWQRHPNSZ-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
CID 138969349
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide (CID 67558227) is N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide is CN(C1=C(c2ccc(F)cc2)CCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is IYEVZSWQRHPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-20(23(21,22)16-6-3-2-4-7-16)18-9-5-8-17(18)14-10-12-15(19)13-11-14/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide?
N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 331.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 67558227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).