N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C14H20N2O4S — CID 2971777

IUPACN-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCO)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(19,20)16-9-2-3-13(16)14(18)15-8-10-17/h4-7,13,17H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyUYCJMUIJUXTCGE-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.26
Rot. Bonds5

About N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2971777) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2971777
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCO)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(19,20)16-9-2-3-13(16)14(18)15-8-10-17/h4-7,13,17H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyUYCJMUIJUXTCGE-UHFFFAOYSA-N
XLogP0.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2971777) is N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UYCJMUIJUXTCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(19,20)16-9-2-3-13(16)14(18)15-8-10-17/h4-7,13,17H,2-3,8-10H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2971777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).