N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide

C19H20ClN3O3S — CID 76866318

IUPACN-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)C=Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H20ClN3O3S/c20-16-9-7-15(8-10-16)11-14-27(25,26)22-18-6-2-1-5-17(18)21-19(24)23-12-3-4-13-23/h1-2,5-11,14,22H,3-4,12-13H2,(H,21,24)
InChIKeyFBEKOZQJAJDZBK-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.38
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide

N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 76866318) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
PubChem CID76866318
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)C=Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H20ClN3O3S/c20-16-9-7-15(8-10-16)11-14-27(25,26)22-18-6-2-1-5-17(18)21-19(24)23-12-3-4-13-23/h1-2,5-11,14,22H,3-4,12-13H2,(H,21,24)
InChIKeyFBEKOZQJAJDZBK-UHFFFAOYSA-N
XLogP4.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide (CID 76866318) is N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1NS(=O)(=O)C=Cc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FBEKOZQJAJDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-16-9-7-15(8-10-16)11-14-27(25,26)22-18-6-2-1-5-17(18)21-19(24)23-12-3-4-13-23/h1-2,5-11,14,22H,3-4,12-13H2,(H,21,24).
What are the key properties of N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 76866318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).