(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid

C10H11NO6S — CID 67904319

IUPAC(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)C(=O)O
InChIInChI=1S/C10H11NO6S/c1-11(10(13)14)18(15,16)8-6-4-3-5-7(8)9(12)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBXNHFVNBJVKNEQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.77
Rot. Bonds3

About (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid

(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid (PubChem CID 67904319) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
PubChem CID67904319
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Name(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)C(=O)O
InChIInChI=1S/C10H11NO6S/c1-11(10(13)14)18(15,16)8-6-4-3-5-7(8)9(12)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBXNHFVNBJVKNEQ-UHFFFAOYSA-N
XLogP0.77
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
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methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
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methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
CID 70281652
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
methyl 2-(aminomethylsulfonyl)benzoate
CID 71067036
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[tert-butyl(prop-2-enyl)sulfamoyl]benzoate
CID 102920573

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid?
The IUPAC name of (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid (CID 67904319) is (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid.
What is the SMILES notation for (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid?
The canonical SMILES for (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid is COC(=O)c1ccccc1S(=O)(=O)N(C)C(=O)O.
What is the InChIKey of (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid?
The InChIKey is BXNHFVNBJVKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-11(10(13)14)18(15,16)8-6-4-3-5-7(8)9(12)17-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid?
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid has a molecular weight of 273.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid is sourced from PubChem (CID 67904319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).