2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide

C13H15ClN4O2S — CID 97239897

IUPAC2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1ccncc1
InChIInChI=1S/C13H15ClN4O2S/c1-2-11(9-3-5-16-6-4-9)18-21(19,20)12-7-10(14)8-17-13(12)15/h3-8,11,18H,2H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyXNTHNUSKCMXZRW-NSHDSACASA-N
MW326.81 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide (PubChem CID 97239897) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
PubChem CID97239897
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1ccncc1
InChIInChI=1S/C13H15ClN4O2S/c1-2-11(9-3-5-16-6-4-9)18-21(19,20)12-7-10(14)8-17-13(12)15/h3-8,11,18H,2H2,1H3,(H2,15,17)/t11-/m0/s1
InChIKeyXNTHNUSKCMXZRW-NSHDSACASA-N
XLogP2.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
2-amino-5-chloro-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide;hydrochloride
CID 120716096
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
2-amino-5-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 146091730
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
CID 136517667
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 103051123

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide (CID 97239897) is 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide is CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1ccncc1.
What is the InChIKey of 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The InChIKey is XNTHNUSKCMXZRW-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-2-11(9-3-5-16-6-4-9)18-21(19,20)12-7-10(14)8-17-13(12)15/h3-8,11,18H,2H2,1H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97239897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).