N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C12H18N2O4S2 — CID 859907

IUPACN,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-13(2)19(15,16)11-5-7-12(8-6-11)20(17,18)14-9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHOMBJDLIWKMKIW-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.72
Rot. Bonds4

About N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 859907) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID859907
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-13(2)19(15,16)11-5-7-12(8-6-11)20(17,18)14-9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHOMBJDLIWKMKIW-UHFFFAOYSA-N
XLogP0.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 859907) is N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is HOMBJDLIWKMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-13(2)19(15,16)11-5-7-12(8-6-11)20(17,18)14-9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 859907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).