N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide

C16H15FN2O3S — CID 41342440

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-2-19-15-7-6-13(8-11(15)9-16(19)20)18-23(21,22)14-5-3-4-12(17)10-14/h3-8,10,18H,2,9H2,1H3
InChIKeyBXZDGHJTRDMTCQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.54
Rot. Bonds4

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide (PubChem CID 41342440) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
PubChem CID41342440
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-2-19-15-7-6-13(8-11(15)9-16(19)20)18-23(21,22)14-5-3-4-12(17)10-14/h3-8,10,18H,2,9H2,1H3
InChIKeyBXZDGHJTRDMTCQ-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
CID 20933274
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342516
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 41342478
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide (CID 41342440) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide?
The InChIKey is BXZDGHJTRDMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-2-19-15-7-6-13(8-11(15)9-16(19)20)18-23(21,22)14-5-3-4-12(17)10-14/h3-8,10,18H,2,9H2,1H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 41342440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).