2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide

C11H13ClFNO3S — CID 83229495

IUPAC2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO3S/c12-10-7-8(13)5-6-11(10)18(15,16)14-17-9-3-1-2-4-9/h5-7,9,14H,1-4H2
InChIKeyIAJZSSRPVDDPEN-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide

2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide (PubChem CID 83229495) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
PubChem CID83229495
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO3S/c12-10-7-8(13)5-6-11(10)18(15,16)14-17-9-3-1-2-4-9/h5-7,9,14H,1-4H2
InChIKeyIAJZSSRPVDDPEN-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
CID 102919619
2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724404
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
(2S)-2-[[(2R)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-hydroxypropyl]amino]-3-cyclohexylpropanamide
CID 69438653
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide (CID 83229495) is 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide is O=S(=O)(NOC1CCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide?
The InChIKey is IAJZSSRPVDDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-10-7-8(13)5-6-11(10)18(15,16)14-17-9-3-1-2-4-9/h5-7,9,14H,1-4H2.
What are the key properties of 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide?
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide has a molecular weight of 293.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 83229495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).