2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid

C17H17Cl2NO4S — CID 70530892

IUPAC2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid
SMILESCCN(CCc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O)c1Cl
InChIInChI=1S/C17H17Cl2NO4S/c1-2-20(11-10-12-6-8-13(18)9-7-12)25(23,24)15-5-3-4-14(16(15)19)17(21)22/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyYUUHTJNDLBYRSQ-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.94
Rot. Bonds7

About 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid

2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid (PubChem CID 70530892) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid
PubChem CID70530892
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Name2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid
SMILESCCN(CCc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O)c1Cl
InChIInChI=1S/C17H17Cl2NO4S/c1-2-20(11-10-12-6-8-13(18)9-7-12)25(23,24)15-5-3-4-14(16(15)19)17(21)22/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyYUUHTJNDLBYRSQ-UHFFFAOYSA-N
XLogP3.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid (CID 70530892) is 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid is CCN(CCc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O)c1Cl.
What is the InChIKey of 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid?
The InChIKey is YUUHTJNDLBYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-2-20(11-10-12-6-8-13(18)9-7-12)25(23,24)15-5-3-4-14(16(15)19)17(21)22/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid?
2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid has a molecular weight of 402.30 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(4-chlorophenyl)ethyl-ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 70530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).