2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid

C18H17FN2O5S — CID 23501291

IUPAC2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid
SMILESCN(CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C18H17FN2O5S/c1-20(18(22)23)11-12-26-16-7-4-6-15-13(16)9-10-21(15)27(24,25)17-8-3-2-5-14(17)19/h2-10H,11-12H2,1H3,(H,22,23)
InChIKeyVSQCJNFWQFBLKB-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid

2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid (PubChem CID 23501291) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid
PubChem CID23501291
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid
SMILESCN(CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C18H17FN2O5S/c1-20(18(22)23)11-12-26-16-7-4-6-15-13(16)9-10-21(15)27(24,25)17-8-3-2-5-14(17)19/h2-10H,11-12H2,1H3,(H,22,23)
InChIKeyVSQCJNFWQFBLKB-UHFFFAOYSA-N
XLogP3.01
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-benzylethanamine
CID 44389529
4-(4-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413494
N,N-dimethyl-1-(2-naphthalen-1-ylsulfonyl-7-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-6-yl)methanamine
CID 137646045
N-[4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]phenyl]acetamide
CID 164610804
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-(pyridin-2-ylmethyl)ethanamine
CID 164611660
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 164616201
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 164625599
N-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]benzenesulfonamide
CID 9804536
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N,N-dimethylethanamine
CID 9967991
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[(3-methoxyphenyl)methyl]ethanamine
CID 10113909
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]oxan-4-amine
CID 10157824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid (CID 23501291) is 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid is CN(CCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid?
The InChIKey is VSQCJNFWQFBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c1-20(18(22)23)11-12-26-16-7-4-6-15-13(16)9-10-21(15)27(24,25)17-8-3-2-5-14(17)19/h2-10H,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid?
2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid has a molecular weight of 392.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylindol-4-yl]oxyethyl-methylcarbamic acid is sourced from PubChem (CID 23501291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).