5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

C14H16BrN3O2S — CID 61216598

IUPAC5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-10-4-5-11(15)8-13(10)21(19,20)17-12-6-7-14(16-9-12)18(2)3/h4-9,17H,1-3H3
InChIKeyXPZJCPDIEJSIII-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.02
Rot. Bonds4

About 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 61216598) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID61216598
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-10-4-5-11(15)8-13(10)21(19,20)17-12-6-7-14(16-9-12)18(2)3/h4-9,17H,1-3H3
InChIKeyXPZJCPDIEJSIII-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 103299543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 61216598) is 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is XPZJCPDIEJSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-10-4-5-11(15)8-13(10)21(19,20)17-12-6-7-14(16-9-12)18(2)3/h4-9,17H,1-3H3.
What are the key properties of 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 61216598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).