methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate

C15H13ClN2O5S — CID 110193413

IUPACmethyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O5S/c1-23-15(20)18-24(21,22)17-13-8-7-11(16)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,18,20)
InChIKeyBSPNLQKNEYQXTH-UHFFFAOYSA-N
MW368.80 g/mol
LogP2.58
Rot. Bonds5

About methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate

methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate (PubChem CID 110193413) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
PubChem CID110193413
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Namemethyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O5S/c1-23-15(20)18-24(21,22)17-13-8-7-11(16)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,18,20)
InChIKeyBSPNLQKNEYQXTH-UHFFFAOYSA-N
XLogP2.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate (CID 110193413) is methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate?
The InChIKey is BSPNLQKNEYQXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-23-15(20)18-24(21,22)17-13-8-7-11(16)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,18,20).
What are the key properties of methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate?
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate has a molecular weight of 368.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 110193413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).