(2-methoxyphenyl)methylsulfonylcarbamic acid

C9H11NO5S — CID 141426793

IUPAC(2-methoxyphenyl)methylsulfonylcarbamic acid
SMILESCOc1ccccc1CS(=O)(=O)NC(=O)O
InChIInChI=1S/C9H11NO5S/c1-15-8-5-3-2-4-7(8)6-16(13,14)10-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeySLMCIEGSDXAIIZ-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.79
Rot. Bonds4

About (2-methoxyphenyl)methylsulfonylcarbamic acid

(2-methoxyphenyl)methylsulfonylcarbamic acid (PubChem CID 141426793) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2-methoxyphenyl)methylsulfonylcarbamic acid.

Molecular Properties

Compound Name(2-methoxyphenyl)methylsulfonylcarbamic acid
PubChem CID141426793
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name(2-methoxyphenyl)methylsulfonylcarbamic acid
SMILESCOc1ccccc1CS(=O)(=O)NC(=O)O
InChIInChI=1S/C9H11NO5S/c1-15-8-5-3-2-4-7(8)6-16(13,14)10-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeySLMCIEGSDXAIIZ-UHFFFAOYSA-N
XLogP0.79
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567026
N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953596
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640
2-acetamido-3-[(2-methoxyphenyl)methylsulfonyl]propanoic acid
CID 107768303
2-[(2-methoxyphenyl)methylsulfonyl]phenol
CID 174818780
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
methyl 2-[1-[(2-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776744
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
3-(2-methoxyphenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115045814

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methylsulfonylcarbamic acid?
The IUPAC name of (2-methoxyphenyl)methylsulfonylcarbamic acid (CID 141426793) is (2-methoxyphenyl)methylsulfonylcarbamic acid.
What is the SMILES notation for (2-methoxyphenyl)methylsulfonylcarbamic acid?
The canonical SMILES for (2-methoxyphenyl)methylsulfonylcarbamic acid is COc1ccccc1CS(=O)(=O)NC(=O)O.
What is the InChIKey of (2-methoxyphenyl)methylsulfonylcarbamic acid?
The InChIKey is SLMCIEGSDXAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-15-8-5-3-2-4-7(8)6-16(13,14)10-9(11)12/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of (2-methoxyphenyl)methylsulfonylcarbamic acid?
(2-methoxyphenyl)methylsulfonylcarbamic acid has a molecular weight of 245.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methylsulfonylcarbamic acid is sourced from PubChem (CID 141426793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).