3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C21H19N3O4S — CID 55729737

IUPAC3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C21H19N3O4S/c1-23(15-8-4-3-5-9-15)18-11-7-6-10-17(18)22-29(26,27)16-12-13-19-20(14-16)28-21(25)24(19)2/h3-14,22H,1-2H3
InChIKeyKWOIDCGYPHTBJC-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.70
Rot. Bonds5

About 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 55729737) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID55729737
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C21H19N3O4S/c1-23(15-8-4-3-5-9-15)18-11-7-6-10-17(18)22-29(26,27)16-12-13-19-20(14-16)28-21(25)24(19)2/h3-14,22H,1-2H3
InChIKeyKWOIDCGYPHTBJC-UHFFFAOYSA-N
XLogP3.70
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 100724970
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39977363
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 55729737) is 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is KWOIDCGYPHTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-23(15-8-4-3-5-9-15)18-11-7-6-10-17(18)22-29(26,27)16-12-13-19-20(14-16)28-21(25)24(19)2/h3-14,22H,1-2H3.
What are the key properties of 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 55729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).