N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide

C18H17BrN2O5S — CID 3238764

IUPACN-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C18H17BrN2O5S/c1-2-27(25,26)21-13-6-3-11(4-7-13)16(22)10-18(24)14-9-12(19)5-8-15(14)20-17(18)23/h3-9,21,24H,2,10H2,1H3,(H,20,23)
InChIKeyFNPFKYOZSCGRPK-UHFFFAOYSA-N
MW453.31 g/mol
LogP2.62
Rot. Bonds6

About N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide

N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide (PubChem CID 3238764) has the molecular formula C18H17BrN2O5S and a molecular weight of 453.31 g/mol. Its IUPAC name is N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
PubChem CID3238764
Molecular FormulaC18H17BrN2O5S
Molecular Weight453.31 g/mol
Exact Mass452.00
IUPAC NameN-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C18H17BrN2O5S/c1-2-27(25,26)21-13-6-3-11(4-7-13)16(22)10-18(24)14-9-12(19)5-8-15(14)20-17(18)23/h3-9,21,24H,2,10H2,1H3,(H,20,23)
InChIKeyFNPFKYOZSCGRPK-UHFFFAOYSA-N
XLogP2.62
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]phenyl}methanesulfonamide
CID 3240712
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 53471
N-{3-[2-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-acetyl]-phenyl}-methanesulfonamide
CID 646040
5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 3996719
5-bromo-1-butyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5243659
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2898995
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-(3-nitrophenyl)-2-oxoethyl)-2H-indol-2-one
CID 366626
AG-219/13130023
CID 2802986
5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2802989
3-(2-{3-[(Ethylsulfonyl)amino]phenyl}-2-oxoethyl)-3-hydroxyindolin-2-one
CID 654118
5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 325504
N-[4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide
CID 647012

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide (CID 3238764) is N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1.
What is the InChIKey of N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
The InChIKey is FNPFKYOZSCGRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O5S/c1-2-27(25,26)21-13-6-3-11(4-7-13)16(22)10-18(24)14-9-12(19)5-8-15(14)20-17(18)23/h3-9,21,24H,2,10H2,1H3,(H,20,23).
What are the key properties of N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide?
N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide has a molecular weight of 453.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 3238764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).