2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide

C12H20BrN3O4S — CID 62157005

IUPAC2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H20BrN3O4S/c1-19-6-3-4-16(5-7-20-2)21(17,18)11-8-10(13)9-15-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyNGZSDOLETYGJNF-UHFFFAOYSA-N
MW382.28 g/mol
LogP1.10
Rot. Bonds9

About 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide (PubChem CID 62157005) has the molecular formula C12H20BrN3O4S and a molecular weight of 382.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
PubChem CID62157005
Molecular FormulaC12H20BrN3O4S
Molecular Weight382.28 g/mol
Exact Mass381.04
IUPAC Name2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H20BrN3O4S/c1-19-6-3-4-16(5-7-20-2)21(17,18)11-8-10(13)9-15-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15)
InChIKeyNGZSDOLETYGJNF-UHFFFAOYSA-N
XLogP1.10
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
4-amino-3,5-dibromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 54465252
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
2-amino-5-bromopyridine-3-sulfonyl chloride
CID 53302026
2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
CID 22515945
5-bromo-2-N-(3-methoxypropyl)-2-N-methylpyridine-2,3-diamine
CID 59631539
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
3-amino-5-bromo-N-(3-methoxypropyl)-N,2-dimethylbenzenesulfonamide
CID 114379564
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide (CID 62157005) is 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide is COCCCN(CCOC)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
The InChIKey is NGZSDOLETYGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O4S/c1-19-6-3-4-16(5-7-20-2)21(17,18)11-8-10(13)9-15-12(11)14/h8-9H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide has a molecular weight of 382.28 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).