N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

C17H20N2O3S — CID 110865792

IUPACN-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)14-7-9-15(10-8-14)18-23(20,21)19-11-12-22-17-6-4-3-5-16(17)19/h3-10,13,18H,11-12H2,1-2H3
InChIKeyXOUPQUNHTUUMAB-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.37
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (PubChem CID 110865792) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
PubChem CID110865792
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)14-7-9-15(10-8-14)18-23(20,21)19-11-12-22-17-6-4-3-5-16(17)19/h3-10,13,18H,11-12H2,1-2H3
InChIKeyXOUPQUNHTUUMAB-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865789
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865813
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770
N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865826
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865760
4-acetyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519416
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 154757419
4-(4-propan-2-yl-3-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 166782018
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
CID 100785328
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (CID 110865792) is N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is CC(C)c1ccc(NS(=O)(=O)N2CCOc3ccccc32)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The InChIKey is XOUPQUNHTUUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)14-7-9-15(10-8-14)18-23(20,21)19-11-12-22-17-6-4-3-5-16(17)19/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is sourced from PubChem (CID 110865792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).