N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide

C26H21N3O4S — CID 11691332

IUPACN-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide
SMILESO=c1[nH]n(Cc2ccccc2)c2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H21N3O4S/c30-26-24-16-20(14-15-25(24)29(27-26)18-19-8-3-1-4-9-19)28-34(31,32)23-13-7-12-22(17-23)33-21-10-5-2-6-11-21/h1-17,28H,18H2,(H,27,30)
InChIKeyCJYFWINFUPDTFP-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.97
Rot. Bonds7

About N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide

N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide (PubChem CID 11691332) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide
PubChem CID11691332
Molecular FormulaC26H21N3O4S
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC NameN-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide
SMILESO=c1[nH]n(Cc2ccccc2)c2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H21N3O4S/c30-26-24-16-20(14-15-25(24)29(27-26)18-19-8-3-1-4-9-19)28-34(31,32)23-13-7-12-22(17-23)33-21-10-5-2-6-11-21/h1-17,28H,18H2,(H,27,30)
InChIKeyCJYFWINFUPDTFP-UHFFFAOYSA-N
XLogP4.97
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 87594798
N-(1-benzyl-6-chloro-3-oxo-2H-indazol-5-yl)-3-cyanobenzenesulfonamide
CID 11568349
3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
CID 68832098
5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
CID 68729523
N-[3-oxo-1-(1-phenylethyl)-2H-indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 172784038
2,3-dichloro-N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-6-methylbenzenesulfonamide
CID 68838533
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 51335151
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide?
The IUPAC name of N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide (CID 11691332) is N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide is O=c1[nH]n(Cc2ccccc2)c2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide?
The InChIKey is CJYFWINFUPDTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4S/c30-26-24-16-20(14-15-25(24)29(27-26)18-19-8-3-1-4-9-19)28-34(31,32)23-13-7-12-22(17-23)33-21-10-5-2-6-11-21/h1-17,28H,18H2,(H,27,30).
What are the key properties of N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide?
N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide has a molecular weight of 471.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide is sourced from PubChem (CID 11691332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).