4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

C21H26FNO3S — CID 11976087

IUPAC4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H26FNO3S/c22-19-7-9-20(10-8-19)27(25,26)23-16-21(12-1-2-13-21)15-18-5-3-17(4-6-18)11-14-24/h3-10,23-24H,1-2,11-16H2
InChIKeyGUMCSUDMSYZPMR-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.44
Rot. Bonds8

About 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (PubChem CID 11976087) has the molecular formula C21H26FNO3S and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
PubChem CID11976087
Molecular FormulaC21H26FNO3S
Molecular Weight391.51 g/mol
Exact Mass391.16
IUPAC Name4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H26FNO3S/c22-19-7-9-20(10-8-19)27(25,26)23-16-21(12-1-2-13-21)15-18-5-3-17(4-6-18)11-14-24/h3-10,23-24H,1-2,11-16H2
InChIKeyGUMCSUDMSYZPMR-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (CID 11976087) is 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is GUMCSUDMSYZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3S/c22-19-7-9-20(10-8-19)27(25,26)23-16-21(12-1-2-13-21)15-18-5-3-17(4-6-18)11-14-24/h3-10,23-24H,1-2,11-16H2.
What are the key properties of 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 11976087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).