N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide

C23H20N2O5S — CID 2134198

IUPACN-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H20N2O5S/c1-15-9-11-18(12-10-15)31(29,30)25-17-6-4-5-16(13-17)21(26)14-23(28)19-7-2-3-8-20(19)24-22(23)27/h2-13,25,28H,14H2,1H3,(H,24,27)/t23-/m1/s1
InChIKeyGTKHAEWCGYYFFI-HSZRJFAPSA-N
MW436.49 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide

N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 2134198) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID2134198
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC NameN-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H20N2O5S/c1-15-9-11-18(12-10-15)31(29,30)25-17-6-4-5-16(13-17)21(26)14-23(28)19-7-2-3-8-20(19)24-22(23)27/h2-13,25,28H,14H2,1H3,(H,24,27)/t23-/m1/s1
InChIKeyGTKHAEWCGYYFFI-HSZRJFAPSA-N
XLogP3.21
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide (CID 2134198) is N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)c2)cc1.
What is the InChIKey of N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GTKHAEWCGYYFFI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-15-9-11-18(12-10-15)31(29,30)25-17-6-4-5-16(13-17)21(26)14-23(28)19-7-2-3-8-20(19)24-22(23)27/h2-13,25,28H,14H2,1H3,(H,24,27)/t23-/m1/s1.
What are the key properties of N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide?
N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 436.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2134198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).