4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide

C14H23NO3S — CID 112822948

IUPAC4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-6-12(7-2)15-19(16,17)13-8-10(3)14(18-5)11(4)9-13/h8-9,12,15H,6-7H2,1-5H3
InChIKeyUMUPAENZPSIZPI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.78
Rot. Bonds6

About 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide

4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 112822948) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID112822948
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-6-12(7-2)15-19(16,17)13-8-10(3)14(18-5)11(4)9-13/h8-9,12,15H,6-7H2,1-5H3
InChIKeyUMUPAENZPSIZPI-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
CID 43108680
2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
CID 136545535
4-methoxy-3,5-dimethylbenzenesulfonic acid
CID 13356603
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide (CID 112822948) is 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is UMUPAENZPSIZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-12(7-2)15-19(16,17)13-8-10(3)14(18-5)11(4)9-13/h8-9,12,15H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide?
4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 112822948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).