N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide

C19H21FN2O3S — CID 142837201

IUPACN-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C19H21FN2O3S/c20-17-11-14(16-7-3-4-8-18(16)26(21,24)25)9-10-15(17)12-22-19(23)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,12H2,(H,22,23)(H2,21,24,25)
InChIKeyDPUZNIAUAHEXCR-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide

N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide (PubChem CID 142837201) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide
PubChem CID142837201
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C19H21FN2O3S/c20-17-11-14(16-7-3-4-8-18(16)26(21,24)25)9-10-15(17)12-22-19(23)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,12H2,(H,22,23)(H2,21,24,25)
InChIKeyDPUZNIAUAHEXCR-UHFFFAOYSA-N
XLogP2.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
CID 142837148
(2R)-2-N-[(2-chlorophenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexane-1,2-dicarboxamide
CID 142837085
N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
CID 63359331
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837017
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806
1-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 162579334
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757
trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide
CID 58290809
2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
CID 90834419
1-N-[(4-phenoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836975

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide (CID 142837201) is N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCC2)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is DPUZNIAUAHEXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-11-14(16-7-3-4-8-18(16)26(21,24)25)9-10-15(17)12-22-19(23)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,12H2,(H,22,23)(H2,21,24,25).
What are the key properties of N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide?
N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 142837201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).