N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide

C13H14BrN3O2S — CID 113019236

IUPACN-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H14BrN3O2S/c1-2-20(18,19)17-12-7-8-13(15-9-12)16-11-5-3-10(14)4-6-11/h3-9,17H,2H2,1H3,(H,15,16)
InChIKeyVHDGOAAWUGCJMZ-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.35
Rot. Bonds5

About N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide

N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide (PubChem CID 113019236) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
PubChem CID113019236
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C13H14BrN3O2S/c1-2-20(18,19)17-12-7-8-13(15-9-12)16-11-5-3-10(14)4-6-11/h3-9,17H,2H2,1H3,(H,15,16)
InChIKeyVHDGOAAWUGCJMZ-UHFFFAOYSA-N
XLogP3.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
N-[6-(2-ethylanilino)-3-pyridinyl]ethanesulfonamide
CID 113017407
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide (CID 113019236) is N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide?
The InChIKey is VHDGOAAWUGCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-2-20(18,19)17-12-7-8-13(15-9-12)16-11-5-3-10(14)4-6-11/h3-9,17H,2H2,1H3,(H,15,16).
What are the key properties of N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide?
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113019236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).