N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide

C9H12ClN3O3S — CID 141388137

IUPACN-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide
SMILESNCC(Cl)CS(=O)(=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H12ClN3O3S/c10-8(4-11)6-17(15,16)13-9(14)7-2-1-3-12-5-7/h1-3,5,8H,4,6,11H2,(H,13,14)
InChIKeyKFTHAQSMWQABHB-UHFFFAOYSA-N
MW277.73 g/mol
LogP-0.29
Rot. Bonds5

About N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide

N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide (PubChem CID 141388137) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide
PubChem CID141388137
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC NameN-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide
SMILESNCC(Cl)CS(=O)(=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H12ClN3O3S/c10-8(4-11)6-17(15,16)13-9(14)7-2-1-3-12-5-7/h1-3,5,8H,4,6,11H2,(H,13,14)
InChIKeyKFTHAQSMWQABHB-UHFFFAOYSA-N
XLogP-0.29
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate
CID 141388144
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-methylpyridine-3-carboxamide chloride
CID 20976730
2-oxo-2-pyridin-3-ylethanesulfonyl chloride
CID 98464535
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide (CID 141388137) is N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide is NCC(Cl)CS(=O)(=O)NC(=O)c1cccnc1.
What is the InChIKey of N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide?
The InChIKey is KFTHAQSMWQABHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-8(4-11)6-17(15,16)13-9(14)7-2-1-3-12-5-7/h1-3,5,8H,4,6,11H2,(H,13,14).
What are the key properties of N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide?
N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide has a molecular weight of 277.73 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 141388137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).