N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

C20H21F2NO3S — CID 24565442

IUPACN-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(F)ccc3F)CCCC2)cc1C
InChIInChI=1S/C20H21F2NO3S/c1-13-5-7-16(11-14(13)2)27(25,26)20(9-3-4-10-20)19(24)23-18-12-15(21)6-8-17(18)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyBFFFQHXJICRNMP-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.31
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 24565442) has the molecular formula C20H21F2NO3S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID24565442
Molecular FormulaC20H21F2NO3S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC NameN-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(F)ccc3F)CCCC2)cc1C
InChIInChI=1S/C20H21F2NO3S/c1-13-5-7-16(11-14(13)2)27(25,26)20(9-3-4-10-20)19(24)23-18-12-15(21)6-8-17(18)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyBFFFQHXJICRNMP-UHFFFAOYSA-N
XLogP4.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
CID 75414478
1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 37352937
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
methyl 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylate
CID 56689977
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55898827
1-(benzenesulfonyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593032
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
4-[1-(3,4-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperazin-2-one
CID 30887318

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 24565442) is N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(F)ccc3F)CCCC2)cc1C.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is BFFFQHXJICRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3S/c1-13-5-7-16(11-14(13)2)27(25,26)20(9-3-4-10-20)19(24)23-18-12-15(21)6-8-17(18)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 24565442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).