4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide

C15H18BrN3O2S — CID 3244120

IUPAC4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H18BrN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3
InChIKeyVQWLJPAXGIKSJB-UHFFFAOYSA-N
MW384.30 g/mol
LogP2.43
Rot. Bonds6

About 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide

4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3244120) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3244120
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H18BrN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3
InChIKeyVQWLJPAXGIKSJB-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3244120) is 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is VQWLJPAXGIKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-19(2)15(12-4-3-9-17-10-12)11-18-22(20,21)14-7-5-13(16)6-8-14/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide?
4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3244120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).