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

C20H23ClN2O4S — CID 55895644

IUPACN-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23ClN2O4S/c1-2-12-27-19-9-8-16(21)14-18(19)22-20(24)15-6-5-7-17(13-15)28(25,26)23-10-3-4-11-23/h5-9,13-14H,2-4,10-12H2,1H3,(H,22,24)
InChIKeyGIYXPHDNIPWJSH-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.17
Rot. Bonds7

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

N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55895644) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55895644
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23ClN2O4S/c1-2-12-27-19-9-8-16(21)14-18(19)22-20(24)15-6-5-7-17(13-15)28(25,26)23-10-3-4-11-23/h5-9,13-14H,2-4,10-12H2,1H3,(H,22,24)
InChIKeyGIYXPHDNIPWJSH-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 118695311
3-morpholin-4-ylsulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175483
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55675150
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55895644) is N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is CCCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GIYXPHDNIPWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-12-27-19-9-8-16(21)14-18(19)22-20(24)15-6-5-7-17(13-15)28(25,26)23-10-3-4-11-23/h5-9,13-14H,2-4,10-12H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55895644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).