3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide

C13H14BrN3O2S — CID 61217643

IUPAC3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-17(2)13-12(7-4-8-15-13)16-20(18,19)11-6-3-5-10(14)9-11/h3-9,16H,1-2H3
InChIKeyOMCSIDSJKHEKQJ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.71
Rot. Bonds4

About 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide

3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 61217643) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID61217643
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-17(2)13-12(7-4-8-15-13)16-20(18,19)11-6-3-5-10(14)9-11/h3-9,16H,1-2H3
InChIKeyOMCSIDSJKHEKQJ-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
CID 47310443
6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61053645
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 26979142
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707957
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide (CID 61217643) is 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide is CN(C)c1ncccc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OMCSIDSJKHEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-17(2)13-12(7-4-8-15-13)16-20(18,19)11-6-3-5-10(14)9-11/h3-9,16H,1-2H3.
What are the key properties of 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide?
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 61217643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).