N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

C20H19NO2S — CID 100530275

IUPACN-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO2S/c1-3-14-21(19-11-8-16(2)9-12-19)24(22,23)20-13-10-17-6-4-5-7-18(17)15-20/h3-13,15H,1,14H2,2H3
InChIKeyQFIQRJUDKQEZNU-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.53
Rot. Bonds5

About N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (PubChem CID 100530275) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
PubChem CID100530275
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO2S/c1-3-14-21(19-11-8-16(2)9-12-19)24(22,23)20-13-10-17-6-4-5-7-18(17)15-20/h3-13,15H,1,14H2,2H3
InChIKeyQFIQRJUDKQEZNU-UHFFFAOYSA-N
XLogP4.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.53
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-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530628
N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100533124
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
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
CID 54552474

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (CID 100530275) is N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The InChIKey is QFIQRJUDKQEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-3-14-21(19-11-8-16(2)9-12-19)24(22,23)20-13-10-17-6-4-5-7-18(17)15-20/h3-13,15H,1,14H2,2H3.
What are the key properties of N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100530275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).