2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid

C14H23NO5SSi — CID 167723901

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H23NO5SSi/c1-14(2,3)22(5,6)20-12-8-7-10(15-21(4,18)19)9-11(12)13(16)17/h7-9,15H,1-6H3,(H,16,17)
InChIKeyJRGMEBSCZIZWEG-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.14
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid

2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid (PubChem CID 167723901) has the molecular formula C14H23NO5SSi and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid
PubChem CID167723901
Molecular FormulaC14H23NO5SSi
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H23NO5SSi/c1-14(2,3)22(5,6)20-12-8-7-10(15-21(4,18)19)9-11(12)13(16)17/h7-9,15H,1-6H3,(H,16,17)
InChIKeyJRGMEBSCZIZWEG-UHFFFAOYSA-N
XLogP3.14
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
CID 58195079
N-[3-acetyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetamide
CID 167715007
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
5-(methanesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766134
2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methanesulfonamido)benzoic acid;2,2,2-trifluoroacetic acid
CID 70006278
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid (CID 167723901) is 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid is CC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid?
The InChIKey is JRGMEBSCZIZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5SSi/c1-14(2,3)22(5,6)20-12-8-7-10(15-21(4,18)19)9-11(12)13(16)17/h7-9,15H,1-6H3,(H,16,17).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid has a molecular weight of 345.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 167723901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).