N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide

C22H17N3O3S2 — CID 11611825

IUPACN-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2C1c1nc2ccccc2s1
InChIInChI=1S/C22H17N3O3S2/c26-21-20(22-24-18-8-4-5-9-19(18)29-22)16-12-15(10-11-17(16)23-21)25-30(27,28)13-14-6-2-1-3-7-14/h1-12,20,25H,13H2,(H,23,26)
InChIKeyFRRHHLIFMSBZGH-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.32
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide

N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide (PubChem CID 11611825) has the molecular formula C22H17N3O3S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide
PubChem CID11611825
Molecular FormulaC22H17N3O3S2
Molecular Weight435.53 g/mol
Exact Mass435.07
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2C1c1nc2ccccc2s1
InChIInChI=1S/C22H17N3O3S2/c26-21-20(22-24-18-8-4-5-9-19(18)29-22)16-12-15(10-11-17(16)23-21)25-30(27,28)13-14-6-2-1-3-7-14/h1-12,20,25H,13H2,(H,23,26)
InChIKeyFRRHHLIFMSBZGH-UHFFFAOYSA-N
XLogP4.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-5-benzylsulfonyl-1,3-dihydroindol-2-one
CID 11633144
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
CID 110405988
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylmethanesulfonamide
CID 8844758
N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide
CID 11553219
N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
CID 70645024
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110405989
1,3-benzothiazol-2-ylmethyl 2-(benzylsulfonylamino)acetate
CID 31706891
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
CID 16776379
(1R,6R)-6-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 93278386
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide (CID 11611825) is N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide is O=C1Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2C1c1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is FRRHHLIFMSBZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S2/c26-21-20(22-24-18-8-4-5-9-19(18)29-22)16-12-15(10-11-17(16)23-21)25-30(27,28)13-14-6-2-1-3-7-14/h1-12,20,25H,13H2,(H,23,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide?
N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 435.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 11611825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).