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

C17H16N2O5S — CID 1091973

IUPACN-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O5S/c1-25(23,24)19-12-8-6-11(7-9-12)15(20)10-17(22)13-4-2-3-5-14(13)18-16(17)21/h2-9,19,22H,10H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyYRWRAEBLAZLGRD-KRWDZBQOSA-N
MW360.39 g/mol
LogP1.47
Rot. Bonds5

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

N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide (PubChem CID 1091973) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
PubChem CID1091973
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O5S/c1-25(23,24)19-12-8-6-11(7-9-12)15(20)10-17(22)13-4-2-3-5-14(13)18-16(17)21/h2-9,19,22H,10H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyYRWRAEBLAZLGRD-KRWDZBQOSA-N
XLogP1.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091979
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
CID 171390330
N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
CID 2134198
(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 7012905
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
N-[2-[2-[(3S)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 40840243
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide (CID 1091973) is N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide?
The InChIKey is YRWRAEBLAZLGRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-25(23,24)19-12-8-6-11(7-9-12)15(20)10-17(22)13-4-2-3-5-14(13)18-16(17)21/h2-9,19,22H,10H2,1H3,(H,18,21)/t17-/m0/s1.
What are the key properties of N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide?
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 1091973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).