N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

C16H18N2O3S — CID 110865760

IUPACN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)N2CCOc3ccccc32)c1
InChIInChI=1S/C16H18N2O3S/c1-12-7-8-13(2)14(11-12)17-22(19,20)18-9-10-21-16-6-4-3-5-15(16)18/h3-8,11,17H,9-10H2,1-2H3
InChIKeyPFCRIACJDBYHBM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.86
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide

N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (PubChem CID 110865760) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
PubChem CID110865760
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)N2CCOc3ccccc32)c1
InChIInChI=1S/C16H18N2O3S/c1-12-7-8-13(2)14(11-12)17-22(19,20)18-9-10-21-16-6-4-3-5-15(16)18/h3-8,11,17H,9-10H2,1-2H3
InChIKeyPFCRIACJDBYHBM-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865826
N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865770
N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865789
2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-5-methylaniline
CID 61113471
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865792
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865813
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398817
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754936
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110729947
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110412114

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide (CID 110865760) is N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)N2CCOc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
The InChIKey is PFCRIACJDBYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-7-8-13(2)14(11-12)17-22(19,20)18-9-10-21-16-6-4-3-5-15(16)18/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide?
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide is sourced from PubChem (CID 110865760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).