N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide

C12H10BrCl2N3O2S — CID 64601121

IUPACN-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(15)5-8(6-17-12)21(19,20)18-11-4-7(13)2-3-9(11)14/h2-6,18H,1H3,(H,16,17)
InChIKeyFBSJIBPJISNQEN-UHFFFAOYSA-N
MW411.11 g/mol
LogP3.99
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide

N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 64601121) has the molecular formula C12H10BrCl2N3O2S and a molecular weight of 411.11 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
PubChem CID64601121
Molecular FormulaC12H10BrCl2N3O2S
Molecular Weight411.11 g/mol
Exact Mass408.91
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(15)5-8(6-17-12)21(19,20)18-11-4-7(13)2-3-9(11)14/h2-6,18H,1H3,(H,16,17)
InChIKeyFBSJIBPJISNQEN-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.11
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,5-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64606214
5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608516
5-chloro-N-(2,4-dibromophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64609135
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 107603183
6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-(4-bromophenyl)-5-chloro-6-hydrazinylpyridine-3-sulfonamide
CID 64607594
N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
CID 66800730
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide (CID 64601121) is N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FBSJIBPJISNQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(15)5-8(6-17-12)21(19,20)18-11-4-7(13)2-3-9(11)14/h2-6,18H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 411.11 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64601121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).