3-(2-phenylethylsulfamoyl)benzoic acid

C15H15NO4S — CID 2473940

IUPAC3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18)
InChIKeyYPNOBPYZXOOSOQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.91
Rot. Bonds6

About 3-(2-phenylethylsulfamoyl)benzoic acid

3-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 2473940) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID2473940
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18)
InChIKeyYPNOBPYZXOOSOQ-UHFFFAOYSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
3-[(2r)-2-[(Benzylsulfonyl)amino]-2-(Dihydroxyboranyl)ethyl]benzoic Acid
CID 49837194
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
3-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 767690
3-((2,2,2-Trifluoroethyl)sulfamoyl)benzoic acid
CID 4992775
3-Sulfamoylbenzoic acid
CID 229352
3-(Methylsulfamoyl)benzoic acid
CID 252654
4-((Propan-2-yl)sulfamoyl)benzoic acid
CID 615021
5-[(3,3-Diphenylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 2555967
4-(Naphthalene-2-sulfonamidomethyl)benzoic acid
CID 2577221
3-[(4-Methylpiperidin-1-YL)sulfonyl]benzoic acid
CID 2842864
2-Fluoro-5-(piperidine-1-sulfonyl)benzoic acid
CID 3245251

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(2-phenylethylsulfamoyl)benzoic acid (CID 2473940) is 3-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(2-phenylethylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is YPNOBPYZXOOSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18).
What are the key properties of 3-(2-phenylethylsulfamoyl)benzoic acid?
3-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2473940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).