N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C24H30ClN3O4S — CID 43005842

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H30ClN3O4S/c25-22-11-2-1-10-21(22)23(28-12-3-4-13-28)17-26-24(29)18-7-5-9-20(15-18)33(30,31)27-16-19-8-6-14-32-19/h1-2,5,7,9-11,15,19,23,27H,3-4,6,8,12-14,16-17H2,(H,26,29)
InChIKeyXDGQSRBPGOTZRH-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.36
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43005842) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43005842
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H30ClN3O4S/c25-22-11-2-1-10-21(22)23(28-12-3-4-13-28)17-26-24(29)18-7-5-9-20(15-18)33(30,31)27-16-19-8-6-14-32-19/h1-2,5,7,9-11,15,19,23,27H,3-4,6,8,12-14,16-17H2,(H,26,29)
InChIKeyXDGQSRBPGOTZRH-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43005842) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XDGQSRBPGOTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c25-22-11-2-1-10-21(22)23(28-12-3-4-13-28)17-26-24(29)18-7-5-9-20(15-18)33(30,31)27-16-19-8-6-14-32-19/h1-2,5,7,9-11,15,19,23,27H,3-4,6,8,12-14,16-17H2,(H,26,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 492.04 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43005842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).