3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide

C14H17N3O6S2 — CID 110640098

IUPAC3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCN2S(C)(=O)=O
InChIInChI=1S/C14H17N3O6S2/c1-9-14(10(2)23-15-9)25(20,21)16-11-4-5-12-13(8-11)22-7-6-17(12)24(3,18)19/h4-5,8,16H,6-7H2,1-3H3
InChIKeyLZFGSRVNSVBQPW-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.25
Rot. Bonds4

About 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 110640098) has the molecular formula C14H17N3O6S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide
PubChem CID110640098
Molecular FormulaC14H17N3O6S2
Molecular Weight387.44 g/mol
Exact Mass387.06
IUPAC Name3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCN2S(C)(=O)=O
InChIInChI=1S/C14H17N3O6S2/c1-9-14(10(2)23-15-9)25(20,21)16-11-4-5-12-13(8-11)22-7-6-17(12)24(3,18)19/h4-5,8,16H,6-7H2,1-3H3
InChIKeyLZFGSRVNSVBQPW-UHFFFAOYSA-N
XLogP1.25
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

2,4,6-trimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110412650
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 50753147
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110413146
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 9116131

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide (CID 110640098) is 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCN2S(C)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is LZFGSRVNSVBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6S2/c1-9-14(10(2)23-15-9)25(20,21)16-11-4-5-12-13(8-11)22-7-6-17(12)24(3,18)19/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 387.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110640098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).