3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

C21H19N3O4S — CID 135954910

IUPAC3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCC1=Nc2ccccc2C1=Cc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)oc1O
InChIInChI=1S/C21H19N3O4S/c1-13-17(16-9-4-5-10-18(16)22-13)12-19-21(25)28-20(23-19)14-7-6-8-15(11-14)29(26,27)24(2)3/h4-12,25H,1-3H3
InChIKeyWCLOTUGMSLZRMI-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.94
Rot. Bonds4

About 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 135954910) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID135954910
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESCC1=Nc2ccccc2C1=Cc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)oc1O
InChIInChI=1S/C21H19N3O4S/c1-13-17(16-9-4-5-10-18(16)22-13)12-19-21(25)28-20(23-19)14-7-6-8-15(11-14)29(26,27)24(2)3/h4-12,25H,1-3H3
InChIKeyWCLOTUGMSLZRMI-UHFFFAOYSA-N
XLogP3.94
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135757439
N,N-dimethylazulene-5-sulfonamide
CID 67469153
1-[[5-hydroxy-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 2826502
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 126809949
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
N,N-dimethylbenzo[e]azulene-5-sulfonamide
CID 67468891
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
CID 53224585
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408
N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
CID 167119396
2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135459114
3-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 97353930

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (CID 135954910) is 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is CC1=Nc2ccccc2C1=Cc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)oc1O.
What is the InChIKey of 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WCLOTUGMSLZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13-17(16-9-4-5-10-18(16)22-13)12-19-21(25)28-20(23-19)14-7-6-8-15(11-14)29(26,27)24(2)3/h4-12,25H,1-3H3.
What are the key properties of 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135954910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).