(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine

C11H15Cl2N3O2S — CID 70837799

IUPAC(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESNS(=O)(=O)NC[C@H]1NCC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3O2S/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-16-19(14,17)18/h1-2,5,8,11,15-16H,3-4,6H2,(H2,14,17,18)/t8-,11-/m1/s1
InChIKeyQBYQPUUZBGOZIG-LDYMZIIASA-N
MW324.23 g/mol
LogP1.23
Rot. Bonds4

About (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine

(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine (PubChem CID 70837799) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine
PubChem CID70837799
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC Name(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESNS(=O)(=O)NC[C@H]1NCC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3O2S/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-16-19(14,17)18/h1-2,5,8,11,15-16H,3-4,6H2,(H2,14,17,18)/t8-,11-/m1/s1
InChIKeyQBYQPUUZBGOZIG-LDYMZIIASA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine?
The IUPAC name of (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine (CID 70837799) is (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine.
What is the SMILES notation for (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine?
The canonical SMILES for (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine is NS(=O)(=O)NC[C@H]1NCC[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine?
The InChIKey is QBYQPUUZBGOZIG-LDYMZIIASA-N. The full InChI is InChI=1S/C11H15Cl2N3O2S/c12-9-2-1-7(5-10(9)13)8-3-4-15-11(8)6-16-19(14,17)18/h1-2,5,8,11,15-16H,3-4,6H2,(H2,14,17,18)/t8-,11-/m1/s1.
What are the key properties of (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine?
(2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine has a molecular weight of 324.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3,4-dichlorophenyl)-2-[(sulfamoylamino)methyl]pyrrolidine is sourced from PubChem (CID 70837799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).