N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide

C14H23NO3S — CID 848381

IUPACN-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-10(2)14(11(3)4)15-19(16,17)13-8-6-12(18-5)7-9-13/h6-11,14-15H,1-5H3
InChIKeyBCUPGVWFVABOFY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.65
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide

N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide (PubChem CID 848381) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
PubChem CID848381
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-10(2)14(11(3)4)15-19(16,17)13-8-6-12(18-5)7-9-13/h6-11,14-15H,1-5H3
InChIKeyBCUPGVWFVABOFY-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
CID 6540261
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide (CID 848381) is N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide?
The InChIKey is BCUPGVWFVABOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)14(11(3)4)15-19(16,17)13-8-6-12(18-5)7-9-13/h6-11,14-15H,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide?
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 848381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).