N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H15BrN2O4S — CID 46323038

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1COc2ccc(Br)cc2C1
InChIInChI=1S/C14H15BrN2O4S/c1-8-14(9(2)21-16-8)22(18,19)17-12-6-10-5-11(15)3-4-13(10)20-7-12/h3-5,12,17H,6-7H2,1-2H3
InChIKeyDGRBKUMKWUUEEG-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.34
Rot. Bonds3

About N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 46323038) has the molecular formula C14H15BrN2O4S and a molecular weight of 387.26 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID46323038
Molecular FormulaC14H15BrN2O4S
Molecular Weight387.26 g/mol
Exact Mass385.99
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1COc2ccc(Br)cc2C1
InChIInChI=1S/C14H15BrN2O4S/c1-8-14(9(2)21-16-8)22(18,19)17-12-6-10-5-11(15)3-4-13(10)20-7-12/h3-5,12,17H,6-7H2,1-2H3
InChIKeyDGRBKUMKWUUEEG-UHFFFAOYSA-N
XLogP2.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 46323038) is N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1COc2ccc(Br)cc2C1.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is DGRBKUMKWUUEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S/c1-8-14(9(2)21-16-8)22(18,19)17-12-6-10-5-11(15)3-4-13(10)20-7-12/h3-5,12,17H,6-7H2,1-2H3.
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 387.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 46323038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).