2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide

C13H21NO3S — CID 8777904

IUPAC2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-5-11(6-2)14-18(15,16)13-9-10(3)7-8-12(13)17-4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyABOSQINIUHAZHX-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds6

About 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide

2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 8777904) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID8777904
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-5-11(6-2)14-18(15,16)13-9-10(3)7-8-12(13)17-4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyABOSQINIUHAZHX-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

2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 60822877
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
3-(1-hydroxybutan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43416589
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide (CID 8777904) is 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is ABOSQINIUHAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-11(6-2)14-18(15,16)13-9-10(3)7-8-12(13)17-4/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide?
2-methoxy-5-methyl-N-pentan-3-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 2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 8777904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).