N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide

C19H20FNO2S — CID 57301144

IUPACN-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccccc2)=C2CCCC2)cc1F
InChIInChI=1S/C19H20FNO2S/c1-14-11-12-16(13-18(14)20)19(15-7-5-6-8-15)21-24(22,23)17-9-3-2-4-10-17/h2-4,9-13,21H,5-8H2,1H3
InChIKeyMGUJBFLLUUJUDV-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.40
Rot. Bonds4

About N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide

N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 57301144) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
PubChem CID57301144
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccccc2)=C2CCCC2)cc1F
InChIInChI=1S/C19H20FNO2S/c1-14-11-12-16(13-18(14)20)19(15-7-5-6-8-15)21-24(22,23)17-9-3-2-4-10-17/h2-4,9-13,21H,5-8H2,1H3
InChIKeyMGUJBFLLUUJUDV-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-[2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33326222
3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 9083904
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
methyl 3-[(3-fluoro-4-methylphenyl)methylsulfamoyl]benzoate
CID 31770306
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
N-[2,3,4,5-tetrafluoro-6-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 23217439
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide (CID 57301144) is N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(C(NS(=O)(=O)c2ccccc2)=C2CCCC2)cc1F.
What is the InChIKey of N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is MGUJBFLLUUJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-14-11-12-16(13-18(14)20)19(15-7-5-6-8-15)21-24(22,23)17-9-3-2-4-10-17/h2-4,9-13,21H,5-8H2,1H3.
What are the key properties of N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide?
N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 345.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 57301144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).