2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H17ClN2O4S — CID 1316845

IUPAC2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h3-8,11,21H,1-2,9-10H2,(H,19,22)
InChIKeyYHUSFKIGMFIGOO-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1316845) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1316845
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h3-8,11,21H,1-2,9-10H2,(H,19,22)
InChIKeyYHUSFKIGMFIGOO-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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 1316845) is 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YHUSFKIGMFIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h3-8,11,21H,1-2,9-10H2,(H,19,22).
What are the key properties of 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-hydroxyphenyl)-5-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 2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1316845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).