N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide

C18H18FNO4S — CID 110618586

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C18H18FNO4S/c19-15-5-9-17(10-6-15)24-11-12-25(22,23)20-16-7-3-14(4-8-16)18(21)13-1-2-13/h3-10,13,20H,1-2,11-12H2
InChIKeySSOMCMMGEUAAOG-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.24
Rot. Bonds8

About N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide

N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 110618586) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID110618586
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C18H18FNO4S/c19-15-5-9-17(10-6-15)24-11-12-25(22,23)20-16-7-3-14(4-8-16)18(21)13-1-2-13/h3-10,13,20H,1-2,11-12H2
InChIKeySSOMCMMGEUAAOG-UHFFFAOYSA-N
XLogP3.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110604230
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110305340
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
dimethyl 2-[2-(4-fluorophenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
CID 90518567

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide (CID 110618586) is N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide is O=C(c1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is SSOMCMMGEUAAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-15-5-9-17(10-6-15)24-11-12-25(22,23)20-16-7-3-14(4-8-16)18(21)13-1-2-13/h3-10,13,20H,1-2,11-12H2.
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide?
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 110618586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).