2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide

C13H16ClN5O2S — CID 136517667

IUPAC2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
SMILESCC(C)(C)c1ncc(NS(=O)(=O)c2cc(Cl)cnc2N)cn1
InChIInChI=1S/C13H16ClN5O2S/c1-13(2,3)12-17-6-9(7-18-12)19-22(20,21)10-4-8(14)5-16-11(10)15/h4-7,19H,1-3H3,(H2,15,16)
InChIKeyOFLHBYLNEFWHOR-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide

2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide (PubChem CID 136517667) has the molecular formula C13H16ClN5O2S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
PubChem CID136517667
Molecular FormulaC13H16ClN5O2S
Molecular Weight341.82 g/mol
Exact Mass341.07
IUPAC Name2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
SMILESCC(C)(C)c1ncc(NS(=O)(=O)c2cc(Cl)cnc2N)cn1
InChIInChI=1S/C13H16ClN5O2S/c1-13(2,3)12-17-6-9(7-18-12)19-22(20,21)10-4-8(14)5-16-11(10)15/h4-7,19H,1-3H3,(H2,15,16)
InChIKeyOFLHBYLNEFWHOR-UHFFFAOYSA-N
XLogP2.21
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 120824575
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
CID 166328062
2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
2-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 146122745
ethyl (3S)-4-[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-hydroxy-3-methylbutanoate
CID 97350431
2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
CID 97239897
2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 71967708
2-amino-5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 146091730
3-[[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]methyl]benzoic acid
CID 166210716
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
CID 75441729
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide (CID 136517667) is 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide is CC(C)(C)c1ncc(NS(=O)(=O)c2cc(Cl)cnc2N)cn1.
What is the InChIKey of 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide?
The InChIKey is OFLHBYLNEFWHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2S/c1-13(2,3)12-17-6-9(7-18-12)19-22(20,21)10-4-8(14)5-16-11(10)15/h4-7,19H,1-3H3,(H2,15,16).
What are the key properties of 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide?
2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide is sourced from PubChem (CID 136517667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).