2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C13H17ClN2O3S — CID 34290845

IUPAC2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-15(2)20(18,19)12-9-10(5-6-11(12)14)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMGTFEYYGUIABMT-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 34290845) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID34290845
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-15(2)20(18,19)12-9-10(5-6-11(12)14)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMGTFEYYGUIABMT-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 34290845) is 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is MGTFEYYGUIABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15(2)20(18,19)12-9-10(5-6-11(12)14)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 34290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).