3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide

C19H20FN3O3S — CID 126574732

IUPAC3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
SMILESCCc1cc(-c2c[nH]c3cc(F)ccc23)ccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C19H20FN3O3S/c1-2-12-9-13(16-11-22-17-10-14(20)4-5-15(16)17)3-6-18(12)27(25,26)23-8-7-19(21)24/h3-6,9-11,22-23H,2,7-8H2,1H3,(H2,21,24)
InChIKeyDSWAQCGOKRNVJW-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.69
Rot. Bonds7

About 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide

3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide (PubChem CID 126574732) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
PubChem CID126574732
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
SMILESCCc1cc(-c2c[nH]c3cc(F)ccc23)ccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C19H20FN3O3S/c1-2-12-9-13(16-11-22-17-10-14(20)4-5-15(16)17)3-6-18(12)27(25,26)23-8-7-19(21)24/h3-6,9-11,22-23H,2,7-8H2,1H3,(H2,21,24)
InChIKeyDSWAQCGOKRNVJW-UHFFFAOYSA-N
XLogP2.69
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
CID 126574745
4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
CID 140892882
tert-butyl 3-[4-[(3-amino-3-oxopropyl)sulfamoyl]-3-(2,2-difluoroethyl)phenyl]-6-fluoroindole-1-carboxylate
CID 135285780
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
4-[2-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]ethyl]morpholin-4-ium-4-carboxamide
CID 126574737
2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol
CID 126584312
3-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-3H-1,2-benzothiazol-2-yl]propanamide
CID 145155538
3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
CID 118382629
1-amino-7-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]heptan-2-one
CID 123723251
4-(6-fluoro-1H-indol-3-yl)-N-(3-hydroxy-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 126584259
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 118382706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide (CID 126574732) is 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide is CCc1cc(-c2c[nH]c3cc(F)ccc23)ccc1S(=O)(=O)NCCC(N)=O.
What is the InChIKey of 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide?
The InChIKey is DSWAQCGOKRNVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-2-12-9-13(16-11-22-17-10-14(20)4-5-15(16)17)3-6-18(12)27(25,26)23-8-7-19(21)24/h3-6,9-11,22-23H,2,7-8H2,1H3,(H2,21,24).
What are the key properties of 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide?
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide has a molecular weight of 389.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 126574732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).