3-[ethyl(phenyl)sulfamoyl]benzoic acid

C15H15NO4S — CID 2329208

IUPAC3-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-2-16(13-8-4-3-5-9-13)21(19,20)14-10-6-7-12(11-14)15(17)18/h3-11H,2H2,1H3,(H,17,18)
InChIKeyNZRQFMPFEUTMTQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.60
Rot. Bonds5

About 3-[ethyl(phenyl)sulfamoyl]benzoic acid

3-[ethyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 2329208) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]benzoic acid
PubChem CID2329208
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-2-16(13-8-4-3-5-9-13)21(19,20)14-10-6-7-12(11-14)15(17)18/h3-11H,2H2,1H3,(H,17,18)
InChIKeyNZRQFMPFEUTMTQ-UHFFFAOYSA-N
XLogP2.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N,4-dimethylphenylsulfonamido)benzoic acid
CID 258011
5-(Piperidine-1-sulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
CID 2565885
3-(1,2,3,4-Tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2315499
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
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)benzoic acid
CID 6625011
4-(1,2,3,4-Tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2318939
4-(1,1-Dioxo-1-Lambda-6,2-Thiazinan-2-Yl)Benzoic Acid
CID 845149
Benzoic acid, 2-(ethylamino)-5-sulfo-
CID 67063
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]benzoic acid (CID 2329208) is 3-[ethyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]benzoic acid is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is NZRQFMPFEUTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-16(13-8-4-3-5-9-13)21(19,20)14-10-6-7-12(11-14)15(17)18/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]benzoic acid?
3-[ethyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2329208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).