4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C13H21NO3S — CID 37478612

IUPAC4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-6-13(3,4)14-18(15,16)11-7-8-12(17-5)10(2)9-11/h7-9,14H,6H2,1-5H3
InChIKeyJKWYSMQUZOSYMR-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds5

About 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 37478612) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID37478612
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-6-13(3,4)14-18(15,16)11-7-8-12(17-5)10(2)9-11/h7-9,14H,6H2,1-5H3
InChIKeyJKWYSMQUZOSYMR-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-(1-bromo-2-methylpropan-2-yl)-3,4-dimethylbenzenesulfonamide
CID 114298501

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 37478612) is 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is JKWYSMQUZOSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-13(3,4)14-18(15,16)11-7-8-12(17-5)10(2)9-11/h7-9,14H,6H2,1-5H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.47, 5 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-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 37478612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).