3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide

C12H10Br2N2O3S — CID 102671955

IUPAC3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1Br
InChIInChI=1S/C12H10Br2N2O3S/c1-19-11-3-2-9(7-10(11)14)20(17,18)16-12-6-8(13)4-5-15-12/h2-7H,1H3,(H,15,16)
InChIKeyKYXILVHOBPMPFI-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.42
Rot. Bonds4

About 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide

3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 102671955) has the molecular formula C12H10Br2N2O3S and a molecular weight of 422.10 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID102671955
Molecular FormulaC12H10Br2N2O3S
Molecular Weight422.10 g/mol
Exact Mass419.88
IUPAC Name3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1Br
InChIInChI=1S/C12H10Br2N2O3S/c1-19-11-3-2-9(7-10(11)14)20(17,18)16-12-6-8(13)4-5-15-12/h2-7H,1H3,(H,15,16)
InChIKeyKYXILVHOBPMPFI-UHFFFAOYSA-N
XLogP3.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 115749665
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 2812403
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
CID 102671827
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 102671955) is 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is KYXILVHOBPMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S/c1-19-11-3-2-9(7-10(11)14)20(17,18)16-12-6-8(13)4-5-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 422.10 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102671955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).