4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide

C13H21NO3S — CID 2954109

IUPAC4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-5-6-11(3)14-18(15,16)12-7-8-13(17-4)10(2)9-12/h7-9,11,14H,5-6H2,1-4H3
InChIKeyVSJRORVFNOUUFI-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds6

About 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide

4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 2954109) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID2954109
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-5-6-11(3)14-18(15,16)12-7-8-13(17-4)10(2)9-12/h7-9,11,14H,5-6H2,1-4H3
InChIKeyVSJRORVFNOUUFI-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
4-methoxy-3-methyl-N-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 6463582
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 743491

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide (CID 2954109) is 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is VSJRORVFNOUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-6-11(3)14-18(15,16)12-7-8-13(17-4)10(2)9-12/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide?
4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2954109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).