4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide

C19H25NO3S — CID 16645091

IUPAC4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C19H25NO3S/c1-4-5-8-13-23-18-14-15(2)11-12-19(18)24(21,22)20-17-10-7-6-9-16(17)3/h6-7,9-12,14,20H,4-5,8,13H2,1-3H3
InChIKeyFMVWWNJVUYNGLU-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.67
Rot. Bonds8

About 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide

4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide (PubChem CID 16645091) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
PubChem CID16645091
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C19H25NO3S/c1-4-5-8-13-23-18-14-15(2)11-12-19(18)24(21,22)20-17-10-7-6-9-16(17)3/h6-7,9-12,14,20H,4-5,8,13H2,1-3H3
InChIKeyFMVWWNJVUYNGLU-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.67
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

N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
CID 16645088
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide
CID 67682633
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide (CID 16645091) is 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide is CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1C.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide?
The InChIKey is FMVWWNJVUYNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-4-5-8-13-23-18-14-15(2)11-12-19(18)24(21,22)20-17-10-7-6-9-16(17)3/h6-7,9-12,14,20H,4-5,8,13H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide?
4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide is sourced from PubChem (CID 16645091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).