1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide

C16H13N3O5S — CID 110350539

IUPAC1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc21
InChIInChI=1S/C16H13N3O5S/c1-19-13-5-3-11(6-9(13)7-15(19)20)25(22,23)18-10-2-4-12-14(8-10)24-16(21)17-12/h2-6,8,18H,7H2,1H3,(H,17,21)
InChIKeyYHDDHAIATMSKAC-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.44
Rot. Bonds3

About 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide (PubChem CID 110350539) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
PubChem CID110350539
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc21
InChIInChI=1S/C16H13N3O5S/c1-19-13-5-3-11(6-9(13)7-15(19)20)25(22,23)18-10-2-4-12-14(8-10)24-16(21)17-12/h2-6,8,18H,7H2,1H3,(H,17,21)
InChIKeyYHDDHAIATMSKAC-UHFFFAOYSA-N
XLogP1.44
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
1-methyl-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110406005
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 24602618
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide (CID 110350539) is 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4[nH]c(=O)oc4c3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide?
The InChIKey is YHDDHAIATMSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-19-13-5-3-11(6-9(13)7-15(19)20)25(22,23)18-10-2-4-12-14(8-10)24-16(21)17-12/h2-6,8,18H,7H2,1H3,(H,17,21).
What are the key properties of 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide has a molecular weight of 359.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide is sourced from PubChem (CID 110350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).