5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide

C10H17BrN4O4S2 — CID 62146629

IUPAC5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H17BrN4O4S2/c1-3-12-10-9(6-8(11)7-13-10)21(18,19)15-5-4-14-20(2,16)17/h6-7,14-15H,3-5H2,1-2H3,(H,12,13)
InChIKeyJXWMBZRMBFFOGX-UHFFFAOYSA-N
MW401.31 g/mol
LogP0.10
Rot. Bonds8

About 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide (PubChem CID 62146629) has the molecular formula C10H17BrN4O4S2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
PubChem CID62146629
Molecular FormulaC10H17BrN4O4S2
Molecular Weight401.31 g/mol
Exact Mass399.99
IUPAC Name5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H17BrN4O4S2/c1-3-12-10-9(6-8(11)7-13-10)21(18,19)15-5-4-14-20(2,16)17/h6-7,14-15H,3-5H2,1-2H3,(H,12,13)
InChIKeyJXWMBZRMBFFOGX-UHFFFAOYSA-N
XLogP0.10
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407836
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62163667
5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107420521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide (CID 62146629) is 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide?
The InChIKey is JXWMBZRMBFFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O4S2/c1-3-12-10-9(6-8(11)7-13-10)21(18,19)15-5-4-14-20(2,16)17/h6-7,14-15H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide has a molecular weight of 401.31 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62146629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).