N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide

C21H15N3O4S — CID 11553219

IUPACN-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1c1nc2ccccc2o1
InChIInChI=1S/C21H15N3O4S/c25-20-19(21-23-17-8-4-5-9-18(17)28-21)15-12-13(10-11-16(15)22-20)24-29(26,27)14-6-2-1-3-7-14/h1-12,19,24H,(H,22,25)
InChIKeyYGMHSOLRUDPKHA-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.71
Rot. Bonds4

About N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide

N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide (PubChem CID 11553219) has the molecular formula C21H15N3O4S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide
PubChem CID11553219
Molecular FormulaC21H15N3O4S
Molecular Weight405.44 g/mol
Exact Mass405.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1c1nc2ccccc2o1
InChIInChI=1S/C21H15N3O4S/c25-20-19(21-23-17-8-4-5-9-18(17)28-21)15-12-13(10-11-16(15)22-20)24-29(26,27)14-6-2-1-3-7-14/h1-12,19,24H,(H,22,25)
InChIKeyYGMHSOLRUDPKHA-UHFFFAOYSA-N
XLogP3.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide (CID 11553219) is N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide is O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1c1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide?
The InChIKey is YGMHSOLRUDPKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4S/c25-20-19(21-23-17-8-4-5-9-18(17)28-21)15-12-13(10-11-16(15)22-20)24-29(26,27)14-6-2-1-3-7-14/h1-12,19,24H,(H,22,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide?
N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11553219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).