N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H18N2O4S — CID 743030

IUPACN-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18N2O4S/c20-16-9-2-1-8-15(16)18-17(21)13-6-5-7-14(12-13)24(22,23)19-10-3-4-11-19/h1-2,5-9,12,20H,3-4,10-11H2,(H,18,21)
InChIKeyWZJHBZJWISYVPY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.43
Rot. Bonds4

About N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 743030) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID743030
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18N2O4S/c20-16-9-2-1-8-15(16)18-17(21)13-6-5-7-14(12-13)24(22,23)19-10-3-4-11-19/h1-2,5-9,12,20H,3-4,10-11H2,(H,18,21)
InChIKeyWZJHBZJWISYVPY-UHFFFAOYSA-N
XLogP2.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 743030) is N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WZJHBZJWISYVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16-9-2-1-8-15(16)18-17(21)13-6-5-7-14(12-13)24(22,23)19-10-3-4-11-19/h1-2,5-9,12,20H,3-4,10-11H2,(H,18,21).
What are the key properties of N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 743030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).