2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone

C13H17FN2O3S — CID 110607576

IUPAC2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone
SMILESO=C(CNS(=O)(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-11-7-5-10(6-8-11)13(17)9-15-20(18,19)16-12-3-1-2-4-12/h5-8,12,15-16H,1-4,9H2
InChIKeyBVZGPXBIFSUCNR-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.38
Rot. Bonds6

About 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone

2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone (PubChem CID 110607576) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone
PubChem CID110607576
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone
SMILESO=C(CNS(=O)(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-11-7-5-10(6-8-11)13(17)9-15-20(18,19)16-12-3-1-2-4-12/h5-8,12,15-16H,1-4,9H2
InChIKeyBVZGPXBIFSUCNR-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
2,2,2-trichloroethyl N-[2-(4-fluorophenyl)-2-oxoethyl]sulfamate
CID 101420581
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
CID 7411593
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
N-phenacylcyclohexanesulfonamide
CID 64993938
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone (CID 110607576) is 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone is O=C(CNS(=O)(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone?
The InChIKey is BVZGPXBIFSUCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-11-7-5-10(6-8-11)13(17)9-15-20(18,19)16-12-3-1-2-4-12/h5-8,12,15-16H,1-4,9H2.
What are the key properties of 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone?
2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone has a molecular weight of 300.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfamoylamino)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110607576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).