2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide

C16H16Cl2N2O4S — CID 16762732

IUPAC2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-24-14-5-3-2-4-10(14)6-7-20-16(21)11-8-15(25(19,22)23)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPNQPAGRMBXVLOS-UHFFFAOYSA-N
MW403.29 g/mol
LogP2.62
Rot. Bonds6

About 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide

2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide (PubChem CID 16762732) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide
PubChem CID16762732
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Name2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-24-14-5-3-2-4-10(14)6-7-20-16(21)11-8-15(25(19,22)23)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPNQPAGRMBXVLOS-UHFFFAOYSA-N
XLogP2.62
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide (CID 16762732) is 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide is COc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is PNQPAGRMBXVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-24-14-5-3-2-4-10(14)6-7-20-16(21)11-8-15(25(19,22)23)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide?
2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 403.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-methoxyphenyl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 16762732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).