3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide

C23H21N3O5S — CID 24982825

IUPAC3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C23H21N3O5S/c1-2-15-26(18-10-4-3-5-11-18)32(30,31)19-12-8-9-17(16-19)22(28)24-25-23(29)20-13-6-7-14-21(20)27/h2-14,16,27H,1,15H2,(H,24,28)(H,25,29)
InChIKeyZMYDEGOUPGVISV-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.85
Rot. Bonds7

About 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide

3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 24982825) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide
PubChem CID24982825
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C23H21N3O5S/c1-2-15-26(18-10-4-3-5-11-18)32(30,31)19-12-8-9-17(16-19)22(28)24-25-23(29)20-13-6-7-14-21(20)27/h2-14,16,27H,1,15H2,(H,24,28)(H,25,29)
InChIKeyZMYDEGOUPGVISV-UHFFFAOYSA-N
XLogP2.85
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide (CID 24982825) is 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1.
What is the InChIKey of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ZMYDEGOUPGVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-2-15-26(18-10-4-3-5-11-18)32(30,31)19-12-8-9-17(16-19)22(28)24-25-23(29)20-13-6-7-14-21(20)27/h2-14,16,27H,1,15H2,(H,24,28)(H,25,29).
What are the key properties of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide?
3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 24982825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).