2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide

C13H21NO3S — CID 65012608

IUPAC2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccccc1C)CS(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-3-6-12(10-18(14,15)16)9-17-13-8-5-4-7-11(13)2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyGPPDAFVTSDUWFG-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.08
Rot. Bonds7

About 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide

2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide (PubChem CID 65012608) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
PubChem CID65012608
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccccc1C)CS(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-3-6-12(10-18(14,15)16)9-17-13-8-5-4-7-11(13)2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyGPPDAFVTSDUWFG-UHFFFAOYSA-N
XLogP2.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012663
2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
CID 65012972
2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012969
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064
2-[(2-fluoro-3-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 107661808
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
CID 65012504
2-[(4-methyl-2-nitrophenoxy)methyl]pentane-1-sulfonamide
CID 65013123
2-[(2-cyanophenoxy)methyl]butane-1-sulfonamide
CID 64999832
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide (CID 65012608) is 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide is CCCC(COc1ccccc1C)CS(N)(=O)=O.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide?
The InChIKey is GPPDAFVTSDUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-6-12(10-18(14,15)16)9-17-13-8-5-4-7-11(13)2/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide?
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide is sourced from PubChem (CID 65012608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).