3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide

C13H13BrClN3O2S — CID 106611697

IUPAC3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C13H13BrClN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-12(15)11(14)7-10/h3-8,17H,1-2H3
InChIKeyJSMAQNHRSNRNGN-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide

3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 106611697) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID106611697
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C13H13BrClN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-12(15)11(14)7-10/h3-8,17H,1-2H3
InChIKeyJSMAQNHRSNRNGN-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 61216598
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide (CID 106611697) is 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1.
What is the InChIKey of 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JSMAQNHRSNRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-12(15)11(14)7-10/h3-8,17H,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 106611697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).