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

C16H14F2N2O3S — CID 20933274

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3
InChIKeyBJVZYTQRQZYTTQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.67
Rot. Bonds4

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

N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 20933274) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
PubChem CID20933274
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3
InChIKeyBJVZYTQRQZYTTQ-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
CID 41342440
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
N-(2,4-difluorophenyl)-3-[(1-ethyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 46336037

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide (CID 20933274) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is BJVZYTQRQZYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.67, 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)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 20933274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).