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

C22H17FN2O5S — CID 171390330

IUPACN-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O5S/c23-15-8-11-19-18(12-15)22(28,21(27)24-19)13-20(26)14-6-9-16(10-7-14)25-31(29,30)17-4-2-1-3-5-17/h1-12,25,28H,13H2,(H,24,27)
InChIKeyDTSWXFCYUKLGIK-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.04
Rot. Bonds6

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

N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide (PubChem CID 171390330) has the molecular formula C22H17FN2O5S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
PubChem CID171390330
Molecular FormulaC22H17FN2O5S
Molecular Weight440.45 g/mol
Exact Mass440.08
IUPAC NameN-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O5S/c23-15-8-11-19-18(12-15)22(28,21(27)24-19)13-20(26)14-6-9-16(10-7-14)25-31(29,30)17-4-2-1-3-5-17/h1-12,25,28H,13H2,(H,24,27)
InChIKeyDTSWXFCYUKLGIK-UHFFFAOYSA-N
XLogP3.04
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973
N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
CID 2134198
N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide
CID 171390327
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
N-[3-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091979
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide (CID 171390330) is N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide is O=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide?
The InChIKey is DTSWXFCYUKLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5S/c23-15-8-11-19-18(12-15)22(28,21(27)24-19)13-20(26)14-6-9-16(10-7-14)25-31(29,30)17-4-2-1-3-5-17/h1-12,25,28H,13H2,(H,24,27).
What are the key properties of N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide?
N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide has a molecular weight of 440.45 g/mol, XLogP of 3.04, 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-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 171390330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).