4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide

C15H23FN2O3S — CID 136559017

IUPAC4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NC(CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-10(18-15(9-19)11-4-2-3-5-11)13-7-6-12(8-14(13)16)22(17,20)21/h6-8,10-11,15,18-19H,2-5,9H2,1H3,(H2,17,20,21)
InChIKeyHCHVNYKXHIMVCS-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.67
Rot. Bonds6

About 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide

4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide (PubChem CID 136559017) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide
PubChem CID136559017
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide
SMILESCC(NC(CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-10(18-15(9-19)11-4-2-3-5-11)13-7-6-12(8-14(13)16)22(17,20)21/h6-8,10-11,15,18-19H,2-5,9H2,1H3,(H2,17,20,21)
InChIKeyHCHVNYKXHIMVCS-UHFFFAOYSA-N
XLogP1.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
4-(3-bromo-1,2-dihydroxypropyl)-3-fluorobenzenesulfonamide
CID 171860667
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 46793116
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide (CID 136559017) is 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide is CC(NC(CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is HCHVNYKXHIMVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-10(18-15(9-19)11-4-2-3-5-11)13-7-6-12(8-14(13)16)22(17,20)21/h6-8,10-11,15,18-19H,2-5,9H2,1H3,(H2,17,20,21).
What are the key properties of 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide?
4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-cyclopentyl-2-hydroxyethyl)amino]ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 136559017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).