2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid

C15H14ClNO4S — CID 2329637

IUPAC2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyPNIGVEBGWOEVFD-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.25
Rot. Bonds5

About 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid

2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 2329637) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
PubChem CID2329637
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14ClNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyPNIGVEBGWOEVFD-UHFFFAOYSA-N
XLogP3.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[Benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
CID 2380525
3-((2-Chlorophenyl)sulfamoyl)benzoic acid
CID 699751
3-[Benzyl(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2357151
3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
CID 2386003
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
3-[Benzyl(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3688235
2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid
CID 1043267
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
5-[Benzyl-(3-trifluoromethyl-phenyl)-sulfamoyl]-2-chloro-benzoic acid
CID 2389220
3-[Benzyl(2-chlorophenyl)sulfamoyl]benzoic acid
CID 2385977
3-[Benzyl(phenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440137
5-[Benzyl-(2-chloro-phenyl)-sulfamoyl]-2-chloro-benzoic acid
CID 5003977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid (CID 2329637) is 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is PNIGVEBGWOEVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-2-17(11-6-4-3-5-7-11)22(20,21)12-8-9-14(16)13(10-12)15(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid?
2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 339.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2329637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).