4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide

C14H13ClN2O4S — CID 10246658

IUPAC4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-5-3-2-4-11(12)17-14(18)9-6-7-10(15)13(8-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyZGVMGWIUKACZHS-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.25
Rot. Bonds4

About 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide

4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide (PubChem CID 10246658) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide
PubChem CID10246658
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-5-3-2-4-11(12)17-14(18)9-6-7-10(15)13(8-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyZGVMGWIUKACZHS-UHFFFAOYSA-N
XLogP2.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide (CID 10246658) is 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide is COc1ccccc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide?
The InChIKey is ZGVMGWIUKACZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-21-12-5-3-2-4-11(12)17-14(18)9-6-7-10(15)13(8-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide?
4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide has a molecular weight of 340.79 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyphenyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 10246658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).