N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C20H24ClN3O4S — CID 2446191

IUPACN-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-23(2)29(26,27)15-7-8-18(24-10-4-5-11-24)16(13-15)20(25)22-14-6-9-19(28-3)17(21)12-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeySGNUJMAIJUHUOJ-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.45
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 2446191) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID2446191
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-23(2)29(26,27)15-7-8-18(24-10-4-5-11-24)16(13-15)20(25)22-14-6-9-19(28-3)17(21)12-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeySGNUJMAIJUHUOJ-UHFFFAOYSA-N
XLogP3.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 2446191) is N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is SGNUJMAIJUHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-23(2)29(26,27)15-7-8-18(24-10-4-5-11-24)16(13-15)20(25)22-14-6-9-19(28-3)17(21)12-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 437.95 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2446191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).