N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide

C20H25NO4S — CID 10292869

IUPACN-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)26(23,24)21-19-9-6-14-20(19,22)16-10-12-18(13-11-16)25-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19,21-22H,6,9,14H2,1-2H3
InChIKeyJUZBVJUHHGNPAX-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.55
Rot. Bonds6

About N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide

N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 10292869) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID10292869
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)26(23,24)21-19-9-6-14-20(19,22)16-10-12-18(13-11-16)25-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19,21-22H,6,9,14H2,1-2H3
InChIKeyJUZBVJUHHGNPAX-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide (CID 10292869) is N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC1(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is JUZBVJUHHGNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15(2)26(23,24)21-19-9-6-14-20(19,22)16-10-12-18(13-11-16)25-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19,21-22H,6,9,14H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide?
N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenoxyphenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 10292869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).