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

C17H15BrN2O5S — CID 3240712

IUPACN-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)c1
InChIInChI=1S/C17H15BrN2O5S/c1-26(24,25)20-12-4-2-3-10(7-12)15(21)9-17(23)13-8-11(18)5-6-14(13)19-16(17)22/h2-8,20,23H,9H2,1H3,(H,19,22)
InChIKeyFMQNSKIFSUTJII-UHFFFAOYSA-N
MW439.29 g/mol
LogP2.23
Rot. Bonds5

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

N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide (PubChem CID 3240712) has the molecular formula C17H15BrN2O5S and a molecular weight of 439.29 g/mol. Its IUPAC name is N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide
PubChem CID3240712
Molecular FormulaC17H15BrN2O5S
Molecular Weight439.29 g/mol
Exact Mass437.99
IUPAC NameN-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)c1
InChIInChI=1S/C17H15BrN2O5S/c1-26(24,25)20-12-4-2-3-10(7-12)15(21)9-17(23)13-8-11(18)5-6-14(13)19-16(17)22/h2-8,20,23H,9H2,1H3,(H,19,22)
InChIKeyFMQNSKIFSUTJII-UHFFFAOYSA-N
XLogP2.23
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
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
1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2924811
N-{4-[2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]phenyl}ethanesulfonamide
CID 3238764
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
5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991221
5-bromo-3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one
CID 304798
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide (CID 3240712) is N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)c1.
What is the InChIKey of N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide?
The InChIKey is FMQNSKIFSUTJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5S/c1-26(24,25)20-12-4-2-3-10(7-12)15(21)9-17(23)13-8-11(18)5-6-14(13)19-16(17)22/h2-8,20,23H,9H2,1H3,(H,19,22).
What are the key properties of N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide?
N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide has a molecular weight of 439.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 3240712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).