N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C17H15N3O5S — CID 110370794

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O5S/c21-16(20-8-7-11-3-1-2-4-14(11)20)10-18-26(23,24)12-5-6-13-15(9-12)25-17(22)19-13/h1-6,9,18H,7-8,10H2,(H,19,22)
InChIKeyZGGSAEWXCCJGMA-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.99
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110370794) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110370794
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O5S/c21-16(20-8-7-11-3-1-2-4-14(11)20)10-18-26(23,24)12-5-6-13-15(9-12)25-17(22)19-13/h1-6,9,18H,7-8,10H2,(H,19,22)
InChIKeyZGGSAEWXCCJGMA-UHFFFAOYSA-N
XLogP0.99
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110766380
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499682
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110370788

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110370794) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZGGSAEWXCCJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c21-16(20-8-7-11-3-1-2-4-14(11)20)10-18-26(23,24)12-5-6-13-15(9-12)25-17(22)19-13/h1-6,9,18H,7-8,10H2,(H,19,22).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 373.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110370794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).