N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide

C12H18N2O3S — CID 65422417

IUPACN-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)C1CCNC1
InChIInChI=1S/C12H18N2O3S/c1-17-12-5-3-2-4-10(12)8-14-18(15,16)11-6-7-13-9-11/h2-5,11,13-14H,6-9H2,1H3
InChIKeyUNFRKEQYRMNFDU-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.48
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide

N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 65422417) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
PubChem CID65422417
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)C1CCNC1
InChIInChI=1S/C12H18N2O3S/c1-17-12-5-3-2-4-10(12)8-14-18(15,16)11-6-7-13-9-11/h2-5,11,13-14H,6-9H2,1H3
InChIKeyUNFRKEQYRMNFDU-UHFFFAOYSA-N
XLogP0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide (CID 65422417) is N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide is COc1ccccc1CNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is UNFRKEQYRMNFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-12-5-3-2-4-10(12)8-14-18(15,16)11-6-7-13-9-11/h2-5,11,13-14H,6-9H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide?
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65422417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).