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

C17H17ClN2O4S — CID 647560

IUPAC2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-16-7-6-14(25(23,24)20-8-1-2-9-20)11-15(16)17(22)19-12-4-3-5-13(21)10-12/h3-7,10-11,21H,1-2,8-9H2,(H,19,22)
InChIKeyYAFQMPJWKLIAPQ-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.08
Rot. Bonds4

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

2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 647560) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID647560
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c18-16-7-6-14(25(23,24)20-8-1-2-9-20)11-15(16)17(22)19-12-4-3-5-13(21)10-12/h3-7,10-11,21H,1-2,8-9H2,(H,19,22)
InChIKeyYAFQMPJWKLIAPQ-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

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Related Compounds

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CID 1333163
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2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
4-(1-azepanylsulfonyl)-N-(3-hydroxyphenyl)benzamide
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N-(3-Hydroxyphenyl)-3-(pyrrolidin-1-ylsulfonyl)benzamide
CID 648227
3-(Azepane-1-sulfonyl)-N-(3-hydroxy-phenyl)-benzamide
CID 1107134
2-chloro-N-(4-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1316845
2-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24981078
2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2876082
N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide
CID 90343255
Cambridge id 6692643
CID 1333126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 647560) is 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YAFQMPJWKLIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-16-7-6-14(25(23,24)20-8-1-2-9-20)11-15(16)17(22)19-12-4-3-5-13(21)10-12/h3-7,10-11,21H,1-2,8-9H2,(H,19,22).
What are the key properties of 2-chloro-N-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-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-(3-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 647560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).