4-methyl-2-pentoxybenzenesulfonamide

C12H19NO3S — CID 50876723

IUPAC4-methyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-3-4-5-8-16-11-9-10(2)6-7-12(11)17(13,14)15/h6-7,9H,3-5,8H2,1-2H3,(H2,13,14,15)
InChIKeyBEYTVRMCVWFTDP-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.21
Rot. Bonds6

About 4-methyl-2-pentoxybenzenesulfonamide

4-methyl-2-pentoxybenzenesulfonamide (PubChem CID 50876723) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-methyl-2-pentoxybenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2-pentoxybenzenesulfonamide
PubChem CID50876723
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-methyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-3-4-5-8-16-11-9-10(2)6-7-12(11)17(13,14)15/h6-7,9H,3-5,8H2,1-2H3,(H2,13,14,15)
InChIKeyBEYTVRMCVWFTDP-UHFFFAOYSA-N
XLogP2.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.21
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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Related Compounds

2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
CID 16645088
4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
CID 16645091
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
4-methyl-2-tetradecoxyphenol
CID 19014152
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
2-amino-5-butoxybenzene-1,4-disulfonamide
CID 154394583
2-(4-cyanobutoxy)-5-methylbenzenesulfonamide
CID 82921364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentoxybenzenesulfonamide?
The IUPAC name of 4-methyl-2-pentoxybenzenesulfonamide (CID 50876723) is 4-methyl-2-pentoxybenzenesulfonamide.
What is the SMILES notation for 4-methyl-2-pentoxybenzenesulfonamide?
The canonical SMILES for 4-methyl-2-pentoxybenzenesulfonamide is CCCCCOc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-2-pentoxybenzenesulfonamide?
The InChIKey is BEYTVRMCVWFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-4-5-8-16-11-9-10(2)6-7-12(11)17(13,14)15/h6-7,9H,3-5,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-methyl-2-pentoxybenzenesulfonamide?
4-methyl-2-pentoxybenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentoxybenzenesulfonamide is sourced from PubChem (CID 50876723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).