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

C17H17ClN2O4S — CID 1316792

IUPAC2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-14-8-7-12(25(23,24)20-9-3-4-10-20)11-13(14)17(22)19-15-5-1-2-6-16(15)21/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22)
InChIKeyFGKRJTXPVKZBRQ-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.08
Rot. Bonds4

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

2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1316792) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1316792
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-14-8-7-12(25(23,24)20-9-3-4-10-20)11-13(14)17(22)19-15-5-1-2-6-16(15)21/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22)
InChIKeyFGKRJTXPVKZBRQ-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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Related Compounds

2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
CID 647560
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
2-Chloro-N-(4-ethanesulfonyl-2-hydroxy-phenyl)-benzamide
CID 651430
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
N-(2-hydroxyphenyl)-3-[(2-hydroxyphenyl)sulfamoyl]benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 1316792) is 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is FGKRJTXPVKZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-8-7-12(25(23,24)20-9-3-4-10-20)11-13(14)17(22)19-15-5-1-2-6-16(15)21/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(2-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-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1316792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).