2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide

C18H21ClN2O4S — CID 1101778

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(19)16(12-15)18(22)20-13-6-8-14(25-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyRAHCQJJVRXDXBD-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.63
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide (PubChem CID 1101778) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
PubChem CID1101778
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(19)16(12-15)18(22)20-13-6-8-14(25-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyRAHCQJJVRXDXBD-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide (CID 1101778) is 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is RAHCQJJVRXDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(19)16(12-15)18(22)20-13-6-8-14(25-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1101778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).