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

C13H13BrFN3O2S — CID 103709775

IUPAC4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,17H,1-2H3
InChIKeyFXWQSXCWGXIDKE-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.85
Rot. Bonds4

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

4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide (PubChem CID 103709775) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
PubChem CID103709775
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,17H,1-2H3
InChIKeyFXWQSXCWGXIDKE-UHFFFAOYSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 103299543
5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 61216598
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide (CID 103709775) is 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cn1.
What is the InChIKey of 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The InChIKey is FXWQSXCWGXIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-18(2)13-6-3-9(8-16-13)17-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103709775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).