N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide

C20H27NO3S — CID 16645088

IUPACN-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H27NO3S/c1-5-6-7-10-24-19-14-15(2)8-9-20(19)25(22,23)21-18-12-16(3)11-17(4)13-18/h8-9,11-14,21H,5-7,10H2,1-4H3
InChIKeyMJBABMLSAGHDOU-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.98
Rot. Bonds8

About N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide

N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide (PubChem CID 16645088) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
PubChem CID16645088
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H27NO3S/c1-5-6-7-10-24-19-14-15(2)8-9-20(19)25(22,23)21-18-12-16(3)11-17(4)13-18/h8-9,11-14,21H,5-7,10H2,1-4H3
InChIKeyMJBABMLSAGHDOU-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.98
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

4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
CID 16645091
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879
N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide (CID 16645088) is N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide is CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide?
The InChIKey is MJBABMLSAGHDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-5-6-7-10-24-19-14-15(2)8-9-20(19)25(22,23)21-18-12-16(3)11-17(4)13-18/h8-9,11-14,21H,5-7,10H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide?
N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide is sourced from PubChem (CID 16645088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).