N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H11N3O4S — CID 110728971

IUPACN-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc2N1
InChIInChI=1S/C15H11N3O4S/c19-15-6-9-5-11(2-4-12(9)17-15)23(20,21)18-10-1-3-13-14(7-10)22-8-16-13/h1-5,7-8,18H,6H2,(H,17,19)
InChIKeyUASKALMYQADZDN-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.12
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110728971) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110728971
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc2N1
InChIInChI=1S/C15H11N3O4S/c19-15-6-9-5-11(2-4-12(9)17-15)23(20,21)18-10-1-3-13-14(7-10)22-8-16-13/h1-5,7-8,18H,6H2,(H,17,19)
InChIKeyUASKALMYQADZDN-UHFFFAOYSA-N
XLogP2.12
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3H-benzimidazol-5-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110724406
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194
N-(1H-indazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7530705
N-(1H-indol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110730882
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110728971) is N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)Nc3ccc4ncoc4c3)ccc2N1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UASKALMYQADZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-15-6-9-5-11(2-4-12(9)17-15)23(20,21)18-10-1-3-13-14(7-10)22-8-16-13/h1-5,7-8,18H,6H2,(H,17,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 329.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110728971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).