N,3-ditert-butyl-4-methoxybenzenesulfonamide

C15H25NO3S — CID 9267355

IUPACN,3-ditert-butyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-14(2,3)12-10-11(8-9-13(12)19-7)20(17,18)16-15(4,5)6/h8-10,16H,1-7H3
InChIKeyDRJIXDXHJDFKNI-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.07
Rot. Bonds3

About N,3-ditert-butyl-4-methoxybenzenesulfonamide

N,3-ditert-butyl-4-methoxybenzenesulfonamide (PubChem CID 9267355) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,3-ditert-butyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN,3-ditert-butyl-4-methoxybenzenesulfonamide
PubChem CID9267355
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN,3-ditert-butyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-14(2,3)12-10-11(8-9-13(12)19-7)20(17,18)16-15(4,5)6/h8-10,16H,1-7H3
InChIKeyDRJIXDXHJDFKNI-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-methoxy-3-methyl-N-(1-methylbutyl)benzenesulfonamide
CID 2954109
N-cyclohexyl-4-methoxy-3-methylbenzenesulfonamide
CID 847796
N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026
4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 956299
2-Isopropyl-4-(1-piperidinylsulfonyl)phenyl methyl ether
CID 1258440
N-allyl-4-methoxy-3-methylbenzenesulfonamide
CID 1750779
N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
CID 934523
N-butyl-4-methoxy-3-methylbenzenesulfonamide
CID 1729061

Frequently Asked Questions

What is the IUPAC name of N,3-ditert-butyl-4-methoxybenzenesulfonamide?
The IUPAC name of N,3-ditert-butyl-4-methoxybenzenesulfonamide (CID 9267355) is N,3-ditert-butyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N,3-ditert-butyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N,3-ditert-butyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N,3-ditert-butyl-4-methoxybenzenesulfonamide?
The InChIKey is DRJIXDXHJDFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(2,3)12-10-11(8-9-13(12)19-7)20(17,18)16-15(4,5)6/h8-10,16H,1-7H3.
What are the key properties of N,3-ditert-butyl-4-methoxybenzenesulfonamide?
N,3-ditert-butyl-4-methoxybenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-ditert-butyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 9267355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).