5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H21NO4S — CID 15944064

IUPAC5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCO2)c(C)cc1C
InChIInChI=1S/C14H21NO4S/c1-10-7-11(2)14(8-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyAMPOXRFQOROERZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.77
Rot. Bonds5

About 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 15944064) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID15944064
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCO2)c(C)cc1C
InChIInChI=1S/C14H21NO4S/c1-10-7-11(2)14(8-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyAMPOXRFQOROERZ-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4565916
CID 4565916
CID 850003
CID 850003
CID 850062
CID 850062
CID 1256749
CID 1256749
CID 2284278
CID 2284278
CID 2137824
CID 2137824
CID 2235525
CID 2235525
CID 3697071
CID 3697071
CID 970153
CID 970153
CID 100321996
CID 100321996
CID 585619
CID 585619
CID 850000
CID 850000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 15944064) is 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCC2CCCO2)c(C)cc1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is AMPOXRFQOROERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-7-11(2)14(8-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 15944064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).