5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide

C12H10BrClN2O3S — CID 107856647

IUPAC5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H10BrClN2O3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-8(13)7-15-12(11)14/h2-7,17H,1H3
InChIKeyLQANAHIGSYUYBA-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide

5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 107856647) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide
PubChem CID107856647
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H10BrClN2O3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-8(13)7-15-12(11)14/h2-7,17H,1H3
InChIKeyLQANAHIGSYUYBA-UHFFFAOYSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.03
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

5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
CID 103100118
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
CID 86807747
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide (CID 107856647) is 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is LQANAHIGSYUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c1-16(9-2-4-10(17)5-3-9)20(18,19)11-6-8(13)7-15-12(11)14/h2-7,17H,1H3.
What are the key properties of 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide?
5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 107856647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).