N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide

C18H21NO3S — CID 118707173

IUPACN-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
SMILESC=CCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C18H21NO3S/c1-5-6-15-11-13(2)18(14(3)12-15)19-23(20,21)17-9-7-16(22-4)8-10-17/h5,7-12,19H,1,6H2,2-4H3
InChIKeyKUKDUKQYCZLUPL-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.84
Rot. Bonds6

About N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide

N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 118707173) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
PubChem CID118707173
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
SMILESC=CCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C18H21NO3S/c1-5-6-15-11-13(2)18(14(3)12-15)19-23(20,21)17-9-7-16(22-4)8-10-17/h5,7-12,19H,1,6H2,2-4H3
InChIKeyKUKDUKQYCZLUPL-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 2906141
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768866
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 847860
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 900631
2-methoxy-5-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 934797
N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935345

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide (CID 118707173) is N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide is C=CCc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1.
What is the InChIKey of N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is KUKDUKQYCZLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-5-6-15-11-13(2)18(14(3)12-15)19-23(20,21)17-9-7-16(22-4)8-10-17/h5,7-12,19H,1,6H2,2-4H3.
What are the key properties of N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide?
N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 118707173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).