N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide

C12H11BrN2O3S — CID 103775610

IUPACN-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H11BrN2O3S/c1-18-10-3-2-4-11(7-10)19(16,17)15-9-5-6-12(13)14-8-9/h2-8,15H,1H3
InChIKeyMTZSAERCXNJOFX-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide

N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide (PubChem CID 103775610) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
PubChem CID103775610
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H11BrN2O3S/c1-18-10-3-2-4-11(7-10)19(16,17)15-9-5-6-12(13)14-8-9/h2-8,15H,1H3
InChIKeyMTZSAERCXNJOFX-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
2-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68688879

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide (CID 103775610) is N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide?
The InChIKey is MTZSAERCXNJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-10-3-2-4-11(7-10)19(16,17)15-9-5-6-12(13)14-8-9/h2-8,15H,1H3.
What are the key properties of N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 103775610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).