N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H17ClN2O4S — CID 1333126

IUPACN-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H17ClN2O4S/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)25(23,24)20-8-1-2-9-20/h3-7,10-11,21H,1-2,8-9H2,(H,19,22)
InChIKeyARRZHUJAOCFWDX-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.08
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1333126) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1333126
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H17ClN2O4S/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)25(23,24)20-8-1-2-9-20/h3-7,10-11,21H,1-2,8-9H2,(H,19,22)
InChIKeyARRZHUJAOCFWDX-UHFFFAOYSA-N
XLogP3.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.08
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-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1333126) is N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ARRZHUJAOCFWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)25(23,24)20-8-1-2-9-20/h3-7,10-11,21H,1-2,8-9H2,(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 380.85 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1333126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).