[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate

C18H19NO5S — CID 118202509

IUPAC[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1
InChIInChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
InChIKeyUOIHXXCRGILGCH-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.25
Rot. Bonds5

About [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate

[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 118202509) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID118202509
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1
InChIInChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3
InChIKeyUOIHXXCRGILGCH-UHFFFAOYSA-N
XLogP3.25
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 107706
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sivelestat sodium anhydrous
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CID 2369482
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
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4-(N-(2-acetylphenyl)sulfamoyl)phenyl pivalate
CID 118202506
[4-[(2-Propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202510
[4-[(2-Butanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202512
[4-[[2-(2-Hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118727259
2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid
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CID 6473058

Frequently Asked Questions

What is the IUPAC name of [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (CID 118202509) is [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1.
What is the InChIKey of [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is UOIHXXCRGILGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3.
What are the key properties of [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
[4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 361.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118202509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).