3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C12H15BrN2O3S — CID 168940806

IUPAC3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-14(2)19(17,18)9-5-6-11(10(13)8-9)15-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOGZXHGQTAANKCE-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.83
Rot. Bonds3

About 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 168940806) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID168940806
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-14(2)19(17,18)9-5-6-11(10(13)8-9)15-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOGZXHGQTAANKCE-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 168940806) is 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c(Br)c1.
What is the InChIKey of 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is OGZXHGQTAANKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-14(2)19(17,18)9-5-6-11(10(13)8-9)15-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 347.23 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 3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 168940806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).