3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid

C15H13NO4S — CID 765694

IUPAC3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c17-15(18)13-7-4-8-14(11-13)16-21(19,20)10-9-12-5-2-1-3-6-12/h1-11,16H,(H,17,18)/b10-9+
InChIKeyXCLRXFSRZUJEQY-MDZDMXLPSA-N
MW303.34 g/mol
LogP2.80
Rot. Bonds5

About 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid

3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid (PubChem CID 765694) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
PubChem CID765694
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c17-15(18)13-7-4-8-14(11-13)16-21(19,20)10-9-12-5-2-1-3-6-12/h1-11,16H,(H,17,18)/b10-9+
InChIKeyXCLRXFSRZUJEQY-MDZDMXLPSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tricaine Methanesulfonate
CID 261501
3-Aminobenzoic Acid
CID 7419
4-(Methylsulfonamido)benzoic acid
CID 250653
2-Methanesulfonamidobenzoic acid
CID 786039
Methyl 3-methanesulfonamidobenzoate
CID 2806372
Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
CID 22763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
2-(Propane-1-sulfonamido)benzoic acid
CID 16770253
3-(Phenylamino)benzoic acid
CID 12850341
Methyl 3-(4-methylbenzenesulfonamido)benzoate
CID 1159052
4-Benzenesulfonamidobenzoic acid
CID 506053
3-Ethanesulfonamidobenzoic acid
CID 836756

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The IUPAC name of 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid (CID 765694) is 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
The InChIKey is XCLRXFSRZUJEQY-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-15(18)13-7-4-8-14(11-13)16-21(19,20)10-9-12-5-2-1-3-6-12/h1-11,16H,(H,17,18)/b10-9+.
What are the key properties of 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid?
3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 765694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).