N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C18H19N3O4S — CID 35416643

IUPACN,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-19(2)26(23,24)14-7-8-15-13(11-14)9-10-20(15)12-21-16-5-3-4-6-17(16)25-18(21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFZYZZRFLGDXCRP-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.87
Rot. Bonds4

About N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 35416643) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID35416643
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H19N3O4S/c1-19(2)26(23,24)14-7-8-15-13(11-14)9-10-20(15)12-21-16-5-3-4-6-17(16)25-18(21)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFZYZZRFLGDXCRP-UHFFFAOYSA-N
XLogP1.87
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 35416687
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875157
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
CID 34913173
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
CID 2497260
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-3-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 26850250
N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26570251
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875222

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 35416643) is N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c(=O)oc2ccccc21.
What is the InChIKey of N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FZYZZRFLGDXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-19(2)26(23,24)14-7-8-15-13(11-14)9-10-20(15)12-21-16-5-3-4-6-17(16)25-18(21)22/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 35416643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).