3-(benzylsulfamoylmethyl)benzoic acid

C15H15NO4S — CID 43362532

IUPAC3-(benzylsulfamoylmethyl)benzoic acid
SMILESO=C(O)c1cccc(CS(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c17-15(18)14-8-4-7-13(9-14)11-21(19,20)16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,17,18)
InChIKeyYVKDVNNVIHUROX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.00
Rot. Bonds6

About 3-(benzylsulfamoylmethyl)benzoic acid

3-(benzylsulfamoylmethyl)benzoic acid (PubChem CID 43362532) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(benzylsulfamoylmethyl)benzoic acid.

Molecular Properties

Compound Name3-(benzylsulfamoylmethyl)benzoic acid
PubChem CID43362532
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-(benzylsulfamoylmethyl)benzoic acid
SMILESO=C(O)c1cccc(CS(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c17-15(18)14-8-4-7-13(9-14)11-21(19,20)16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,17,18)
InChIKeyYVKDVNNVIHUROX-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrol-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106384516
3-[[(2,6-difluorophenyl)methylsulfonylamino]methyl]benzoic acid
CID 146090755
3-(3-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499122
3-(pyridazin-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106894941
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248
3-(2-pyrrol-1-ylethylsulfamoylmethyl)benzoic acid
CID 106390646
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
3-(2-methylsulfanylethylsulfamoylmethyl)benzoic acid
CID 43525945
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975
3-(oxan-4-ylmethylsulfamoylmethyl)benzoic acid
CID 63713772
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoylmethyl)benzoic acid?
The IUPAC name of 3-(benzylsulfamoylmethyl)benzoic acid (CID 43362532) is 3-(benzylsulfamoylmethyl)benzoic acid.
What is the SMILES notation for 3-(benzylsulfamoylmethyl)benzoic acid?
The canonical SMILES for 3-(benzylsulfamoylmethyl)benzoic acid is O=C(O)c1cccc(CS(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoylmethyl)benzoic acid?
The InChIKey is YVKDVNNVIHUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)14-8-4-7-13(9-14)11-21(19,20)16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,17,18).
What are the key properties of 3-(benzylsulfamoylmethyl)benzoic acid?
3-(benzylsulfamoylmethyl)benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoylmethyl)benzoic acid is sourced from PubChem (CID 43362532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).