N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide

C21H25FN2O4S — CID 100635936

IUPACN-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1
InChIInChI=1S/C21H25FN2O4S/c1-23-29(27,28)18-5-2-4-16(12-18)20(26)24-14-21(11-3-6-19(21)25)13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19,23,25H,3,6,11,13-14H2,1H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyJGPFBZDZLLXYCE-TZIWHRDSSA-N
MW420.51 g/mol
LogP2.24
Rot. Bonds7

About N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide

N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 100635936) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
PubChem CID100635936
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1
InChIInChI=1S/C21H25FN2O4S/c1-23-29(27,28)18-5-2-4-16(12-18)20(26)24-14-21(11-3-6-19(21)25)13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19,23,25H,3,6,11,13-14H2,1H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyJGPFBZDZLLXYCE-TZIWHRDSSA-N
XLogP2.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide (CID 100635936) is N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1.
What is the InChIKey of N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is JGPFBZDZLLXYCE-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-23-29(27,28)18-5-2-4-16(12-18)20(26)24-14-21(11-3-6-19(21)25)13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19,23,25H,3,6,11,13-14H2,1H3,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide?
N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100635936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).