methyl N-(2-methylsulfonylphenyl)carbamate

C9H11NO4S — CID 117062831

IUPACmethyl N-(2-methylsulfonylphenyl)carbamate
SMILESCOC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-14-9(11)10-7-5-3-4-6-8(7)15(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyZGEMBCVSLKVJBG-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.27
Rot. Bonds2

About methyl N-(2-methylsulfonylphenyl)carbamate

methyl N-(2-methylsulfonylphenyl)carbamate (PubChem CID 117062831) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl N-(2-methylsulfonylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylsulfonylphenyl)carbamate
PubChem CID117062831
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl N-(2-methylsulfonylphenyl)carbamate
SMILESCOC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-14-9(11)10-7-5-3-4-6-8(7)15(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyZGEMBCVSLKVJBG-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl 2-(2-methylsulfonylanilino)butanoate
CID 113292467
1-(1-hydroxypropan-2-yl)-3-(2-methylsulfonylphenyl)urea
CID 51080334
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylsulfonylphenyl)carbamate?
The IUPAC name of methyl N-(2-methylsulfonylphenyl)carbamate (CID 117062831) is methyl N-(2-methylsulfonylphenyl)carbamate.
What is the SMILES notation for methyl N-(2-methylsulfonylphenyl)carbamate?
The canonical SMILES for methyl N-(2-methylsulfonylphenyl)carbamate is COC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of methyl N-(2-methylsulfonylphenyl)carbamate?
The InChIKey is ZGEMBCVSLKVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)10-7-5-3-4-6-8(7)15(2,12)13/h3-6H,1-2H3,(H,10,11).
What are the key properties of methyl N-(2-methylsulfonylphenyl)carbamate?
methyl N-(2-methylsulfonylphenyl)carbamate has a molecular weight of 229.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylsulfonylphenyl)carbamate is sourced from PubChem (CID 117062831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).