(sulfonylamino)methyl benzoate

C8H7NO4S — CID 140531159

IUPAC(sulfonylamino)methyl benzoate
SMILESO=C(OCN=S(=O)=O)c1ccccc1
InChIInChI=1S/C8H7NO4S/c10-8(13-6-9-14(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMKCZEGVHDWEXSW-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.86
Rot. Bonds3

About (sulfonylamino)methyl benzoate

(sulfonylamino)methyl benzoate (PubChem CID 140531159) has the molecular formula C8H7NO4S and a molecular weight of 213.21 g/mol. Its IUPAC name is (sulfonylamino)methyl benzoate.

Molecular Properties

Compound Name(sulfonylamino)methyl benzoate
PubChem CID140531159
Molecular FormulaC8H7NO4S
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name(sulfonylamino)methyl benzoate
SMILESO=C(OCN=S(=O)=O)c1ccccc1
InChIInChI=1S/C8H7NO4S/c10-8(13-6-9-14(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyMKCZEGVHDWEXSW-UHFFFAOYSA-N
XLogP0.86
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bromomethyl benzoate;thiirane
CID 175312292
2-benzoyloxyethyl benzoate;ethene
CID 67969171
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethanesulfinate
CID 57142573
CID 158970570
CID 158970570
benzyl benzoate
CID 2345
2-(aminomethoxy)ethyl benzoate
CID 89228347
3-benzoyloxypropanoic acid
CID 21263483
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2,2,2-trihydroxyethyl benzoate
CID 150026963

Frequently Asked Questions

What is the IUPAC name of (sulfonylamino)methyl benzoate?
The IUPAC name of (sulfonylamino)methyl benzoate (CID 140531159) is (sulfonylamino)methyl benzoate.
What is the SMILES notation for (sulfonylamino)methyl benzoate?
The canonical SMILES for (sulfonylamino)methyl benzoate is O=C(OCN=S(=O)=O)c1ccccc1.
What is the InChIKey of (sulfonylamino)methyl benzoate?
The InChIKey is MKCZEGVHDWEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S/c10-8(13-6-9-14(11)12)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of (sulfonylamino)methyl benzoate?
(sulfonylamino)methyl benzoate has a molecular weight of 213.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfonylamino)methyl benzoate is sourced from PubChem (CID 140531159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).