N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

C21H21NO2S — CID 100530628

IUPACN-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2S/c1-4-13-22(20-11-9-16(2)17(3)14-20)25(23,24)21-12-10-18-7-5-6-8-19(18)15-21/h4-12,14-15H,1,13H2,2-3H3
InChIKeyOHKLYMIERBUCTF-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.84
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (PubChem CID 100530628) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
PubChem CID100530628
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2S/c1-4-13-22(20-11-9-16(2)17(3)14-20)25(23,24)21-12-10-18-7-5-6-8-19(18)15-21/h4-12,14-15H,1,13H2,2-3H3
InChIKeyOHKLYMIERBUCTF-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100533124
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100531068
N-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351
methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517959
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (CID 100530628) is N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The InChIKey is OHKLYMIERBUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-4-13-22(20-11-9-16(2)17(3)14-20)25(23,24)21-12-10-18-7-5-6-8-19(18)15-21/h4-12,14-15H,1,13H2,2-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100530628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).