[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate

C20H17NO4S — CID 18668246

IUPAC[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO4S/c1-14(2)20(22)25-17-12-10-16(11-13-17)21-26(23,24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,21H,1H2,2H3
InChIKeyCNSMGTZVONSXIY-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.12
Rot. Bonds5

About [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate

[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate (PubChem CID 18668246) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
PubChem CID18668246
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO4S/c1-14(2)20(22)25-17-12-10-16(11-13-17)21-26(23,24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,21H,1H2,2H3
InChIKeyCNSMGTZVONSXIY-UHFFFAOYSA-N
XLogP4.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
naphthalen-1-ylsulfonyl 2-methylprop-2-eneperoxoate
CID 140561168
dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 4685658
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate (CID 18668246) is [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate?
The InChIKey is CNSMGTZVONSXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-14(2)20(22)25-17-12-10-16(11-13-17)21-26(23,24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,21H,1H2,2H3.
What are the key properties of [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate?
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate has a molecular weight of 367.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18668246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).