N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide

C15H24N2O4S — CID 129311331

IUPACN-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1c(N=O)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C15H24N2O4S/c1-10(2)9-22(19,20)17-13-8-11(15(3,4)5)7-12(16-18)14(13)21-6/h7-8,10,17H,9H2,1-6H3
InChIKeyQDYOKHZDZRXRDX-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.79
Rot. Bonds6

About N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide

N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 129311331) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide
PubChem CID129311331
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1c(N=O)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C15H24N2O4S/c1-10(2)9-22(19,20)17-13-8-11(15(3,4)5)7-12(16-18)14(13)21-6/h7-8,10,17H,9H2,1-6H3
InChIKeyQDYOKHZDZRXRDX-UHFFFAOYSA-N
XLogP3.79
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide (CID 129311331) is N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide is COc1c(N=O)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C.
What is the InChIKey of N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is QDYOKHZDZRXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10(2)9-22(19,20)17-13-8-11(15(3,4)5)7-12(16-18)14(13)21-6/h7-8,10,17H,9H2,1-6H3.
What are the key properties of N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide?
N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 129311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).