5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide

C17H20N2O3S — CID 22766963

IUPAC5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1cc(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-13-11-15(19-9-5-6-10-19)17(16(12-13)23(18,20)21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20,21)
InChIKeyPRFXYNCCPALJKN-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.03
Rot. Bonds4

About 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide

5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 22766963) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID22766963
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1cc(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-13-11-15(19-9-5-6-10-19)17(16(12-13)23(18,20)21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20,21)
InChIKeyPRFXYNCCPALJKN-UHFFFAOYSA-N
XLogP3.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide (CID 22766963) is 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide is Cc1cc(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is PRFXYNCCPALJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-11-15(19-9-5-6-10-19)17(16(12-13)23(18,20)21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,18,20,21).
What are the key properties of 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide?
5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 22766963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).