2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide

C13H17ClN4O3S — CID 71967708

IUPAC2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1CCCNS(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C13H17ClN4O3S/c1-8-11(9(2)21-18-8)4-3-5-17-22(19,20)12-6-10(14)7-16-13(12)15/h6-7,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyIXZDBIRBDWRPDM-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide (PubChem CID 71967708) has the molecular formula C13H17ClN4O3S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
PubChem CID71967708
Molecular FormulaC13H17ClN4O3S
Molecular Weight344.82 g/mol
Exact Mass344.07
IUPAC Name2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1CCCNS(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C13H17ClN4O3S/c1-8-11(9(2)21-18-8)4-3-5-17-22(19,20)12-6-10(14)7-16-13(12)15/h6-7,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyIXZDBIRBDWRPDM-UHFFFAOYSA-N
XLogP1.83
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646335
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110646326
2-amino-5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 129004123
ethyl (3S)-4-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-hydroxy-3-methylbutanoate
CID 97350431
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
CID 136517667
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
4-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347580
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79884887

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide (CID 71967708) is 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide is Cc1noc(C)c1CCCNS(=O)(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is IXZDBIRBDWRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3S/c1-8-11(9(2)21-18-8)4-3-5-17-22(19,20)12-6-10(14)7-16-13(12)15/h6-7,17H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 344.82 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71967708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).