(2-carbamoylphenyl) 4-methoxybenzenesulfonate

C14H13NO5S — CID 7510344

IUPAC(2-carbamoylphenyl) 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H13NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H2,15,16)
InChIKeyMFMOCYNNMPXXNU-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.56
Rot. Bonds5

About (2-carbamoylphenyl) 4-methoxybenzenesulfonate

(2-carbamoylphenyl) 4-methoxybenzenesulfonate (PubChem CID 7510344) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is (2-carbamoylphenyl) 4-methoxybenzenesulfonate.

Molecular Properties

Compound Name(2-carbamoylphenyl) 4-methoxybenzenesulfonate
PubChem CID7510344
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name(2-carbamoylphenyl) 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1
InChIInChI=1S/C14H13NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H2,15,16)
InChIKeyMFMOCYNNMPXXNU-UHFFFAOYSA-N
XLogP1.56
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-Methoxybenzamide
CID 75540
2-Methoxy-5-sulfamoylbenzamide
CID 827160
4-Methoxy-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
CID 14984051
N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
CID 809441
N-(4-ethoxybenzenesulfonyl)benzamide
CID 972596
5-(Cyclopentylsulfamoyl)-2-methoxybenzamide
CID 6471249
5-(Cycloheptylsulfamoyl)-2-methoxybenzamide
CID 6471379
5-[(Benzylamino)sulfonyl]-2-ethoxybenzamide
CID 1508458
2-Methoxy-N-(4-methylbenzenesulfonyl)benzamide
CID 2531951
4-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
CID 1473016
2-Ethoxy-5-[(isopropylamino)sulfonyl]benzamide
CID 1508460
2-Methoxy-5-(4-thiomorpholinylsulfonyl)benzamide
CID 6471874

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) 4-methoxybenzenesulfonate?
The IUPAC name of (2-carbamoylphenyl) 4-methoxybenzenesulfonate (CID 7510344) is (2-carbamoylphenyl) 4-methoxybenzenesulfonate.
What is the SMILES notation for (2-carbamoylphenyl) 4-methoxybenzenesulfonate?
The canonical SMILES for (2-carbamoylphenyl) 4-methoxybenzenesulfonate is COc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1.
What is the InChIKey of (2-carbamoylphenyl) 4-methoxybenzenesulfonate?
The InChIKey is MFMOCYNNMPXXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-19-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H2,15,16).
What are the key properties of (2-carbamoylphenyl) 4-methoxybenzenesulfonate?
(2-carbamoylphenyl) 4-methoxybenzenesulfonate has a molecular weight of 307.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) 4-methoxybenzenesulfonate is sourced from PubChem (CID 7510344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).