4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 9172687

IUPAC4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO3S/c1-11(2)8-9-16-20(17,18)13-6-7-15(19-5)14(10-13)12(3)4/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyGFMQUTYQBAHWQG-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.14
Rot. Bonds7

About 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide

4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide (PubChem CID 9172687) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
PubChem CID9172687
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO3S/c1-11(2)8-9-16-20(17,18)13-6-7-15(19-5)14(10-13)12(3)4/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyGFMQUTYQBAHWQG-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide (CID 9172687) is 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide?
The InChIKey is GFMQUTYQBAHWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(2)8-9-16-20(17,18)13-6-7-15(19-5)14(10-13)12(3)4/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide?
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 9172687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).