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

C17H20N2O3S — CID 110865789

IUPACN-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)N1CCOc2ccccc21
InChIInChI=1S/C17H20N2O3S/c1-13(2)14-7-3-4-8-15(14)18-23(20,21)19-11-12-22-17-10-6-5-9-16(17)19/h3-10,13,18H,11-12H2,1-2H3
InChIKeyTXKHMPGXPABOEG-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.37
Rot. Bonds4

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

N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (PubChem CID 110865789) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
PubChem CID110865789
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)N1CCOc2ccccc21
InChIInChI=1S/C17H20N2O3S/c1-13(2)14-7-3-4-8-15(14)18-23(20,21)19-11-12-22-17-10-6-5-9-16(17)19/h3-10,13,18H,11-12H2,1-2H3
InChIKeyTXKHMPGXPABOEG-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-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865792
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865760
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-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865813
4-(4-propan-2-yl-3-propylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 166782018
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
(2S)-5-methylsulfonyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93492057
4-methylsulfonyl-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43886433
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 154757419
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (CID 110865789) is N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is CC(C)c1ccccc1NS(=O)(=O)N1CCOc2ccccc21.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The InChIKey is TXKHMPGXPABOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)14-7-3-4-8-15(14)18-23(20,21)19-11-12-22-17-10-6-5-9-16(17)19/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
N-(2-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-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is sourced from PubChem (CID 110865789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).