5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

C9H12BrN3O3S — CID 55152309

IUPAC5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O3S/c1-17(15,16)13-5-4-11-9(14)8-3-2-7(10)6-12-8/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyGRBXDDZRYUPNQX-UHFFFAOYSA-N
MW322.18 g/mol
LogP0.12
Rot. Bonds5

About 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (PubChem CID 55152309) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
PubChem CID55152309
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC Name5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O3S/c1-17(15,16)13-5-4-11-9(14)8-3-2-7(10)6-12-8/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyGRBXDDZRYUPNQX-UHFFFAOYSA-N
XLogP0.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (CID 55152309) is 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The InChIKey is GRBXDDZRYUPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c1-17(15,16)13-5-4-11-9(14)8-3-2-7(10)6-12-8/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide has a molecular weight of 322.18 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55152309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).