N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide

C15H23NO4S — CID 173341187

IUPACN-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1CC(O)CC1O
InChIInChI=1S/C15H23NO4S/c17-14-9-13(15(18)10-14)11-16-21(19,20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-18H,4,7-11H2
InChIKeyRKXOTVFHQDVTLI-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.67
Rot. Bonds7

About N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide

N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 173341187) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID173341187
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1CC(O)CC1O
InChIInChI=1S/C15H23NO4S/c17-14-9-13(15(18)10-14)11-16-21(19,20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-18H,4,7-11H2
InChIKeyRKXOTVFHQDVTLI-UHFFFAOYSA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110345821
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
2-[2-(3-phenylpropylsulfonylamino)ethylcarbamoyl]benzoic acid
CID 113083432

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide (CID 173341187) is N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCC1CC(O)CC1O.
What is the InChIKey of N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is RKXOTVFHQDVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c17-14-9-13(15(18)10-14)11-16-21(19,20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-18H,4,7-11H2.
What are the key properties of N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 173341187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).