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

C12H10BrClN2O3S — CID 103943880

IUPAC3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O3S/c1-19-11-5-4-8(7-9(11)13)20(17,18)16-12-10(14)3-2-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyDRXXJHVOOHMSNK-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.31
Rot. Bonds4

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

3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 103943880) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID103943880
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O3S/c1-19-11-5-4-8(7-9(11)13)20(17,18)16-12-10(14)3-2-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyDRXXJHVOOHMSNK-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 103943880) is 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is DRXXJHVOOHMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c1-19-11-5-4-8(7-9(11)13)20(17,18)16-12-10(14)3-2-6-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103943880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).