2-methoxy-5-methyl-N-pentylbenzenesulfonamide

C13H21NO3S — CID 2222264

IUPAC2-methoxy-5-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-4-5-6-9-14-18(15,16)13-10-11(2)7-8-12(13)17-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyDNGZEROQULZXCV-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds7

About 2-methoxy-5-methyl-N-pentylbenzenesulfonamide

2-methoxy-5-methyl-N-pentylbenzenesulfonamide (PubChem CID 2222264) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-pentylbenzenesulfonamide
PubChem CID2222264
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-5-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO3S/c1-4-5-6-9-14-18(15,16)13-10-11(2)7-8-12(13)17-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyDNGZEROQULZXCV-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-pentylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-pentylbenzenesulfonamide (CID 2222264) is 2-methoxy-5-methyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-5-methyl-N-pentylbenzenesulfonamide?
The InChIKey is DNGZEROQULZXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-5-6-9-14-18(15,16)13-10-11(2)7-8-12(13)17-3/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-pentylbenzenesulfonamide?
2-methoxy-5-methyl-N-pentylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.47, 7 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-pentylbenzenesulfonamide is sourced from PubChem (CID 2222264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).