N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C18H15BrN2O3S — CID 100741370

IUPACN-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H15BrN2O3S/c19-16-17(13-5-2-1-3-6-13)24-20-18(16)21-25(22,23)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)
InChIKeyVGAHMYBYKYNYKZ-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.39
Rot. Bonds4

About N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 100741370) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID100741370
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H15BrN2O3S/c19-16-17(13-5-2-1-3-6-13)24-20-18(16)21-25(22,23)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)
InChIKeyVGAHMYBYKYNYKZ-UHFFFAOYSA-N
XLogP4.39
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 81260770
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26964949
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114298978
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-(2,3-dihydro-1-benzofuran-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110870916
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 75384389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 100741370) is N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is VGAHMYBYKYNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c19-16-17(13-5-2-1-3-6-13)24-20-18(16)21-25(22,23)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2,(H,20,21).
What are the key properties of N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 419.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 100741370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).