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

C17H18N2O4S — CID 648227

IUPACN-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18N2O4S/c20-15-7-4-6-14(12-15)18-17(21)13-5-3-8-16(11-13)24(22,23)19-9-1-2-10-19/h3-8,11-12,20H,1-2,9-10H2,(H,18,21)
InChIKeyHQDZGYFXCHDUPL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.43
Rot. Bonds4

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

N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 648227) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID648227
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18N2O4S/c20-15-7-4-6-14(12-15)18-17(21)13-5-3-8-16(11-13)24(22,23)19-9-1-2-10-19/h3-8,11-12,20H,1-2,9-10H2,(H,18,21)
InChIKeyHQDZGYFXCHDUPL-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

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Related Compounds

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N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
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4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637
Scp-1
CID 667575
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
CID 647560
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
Cambridge id 7149841
CID 1164173
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
4-(dimethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 4324618

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 648227) is N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HQDZGYFXCHDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15-7-4-6-14(12-15)18-17(21)13-5-3-8-16(11-13)24(22,23)19-9-1-2-10-19/h3-8,11-12,20H,1-2,9-10H2,(H,18,21).
What are the key properties of N-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-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-(3-hydroxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 648227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).