N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide

C9H14ClN3O2S — CID 103704919

IUPACN-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(Cl)cn1
InChIInChI=1S/C9H14ClN3O2S/c1-16(14,15)13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7,13H,2,5-6H2,1H3,(H,11,12)
InChIKeyCWKWBAVXILASSK-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.09
Rot. Bonds6

About N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide

N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide (PubChem CID 103704919) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
PubChem CID103704919
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC NameN-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(Cl)cn1
InChIInChI=1S/C9H14ClN3O2S/c1-16(14,15)13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7,13H,2,5-6H2,1H3,(H,11,12)
InChIKeyCWKWBAVXILASSK-UHFFFAOYSA-N
XLogP1.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide (CID 103704919) is N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1ccc(Cl)cn1.
What is the InChIKey of N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide?
The InChIKey is CWKWBAVXILASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-16(14,15)13-6-2-5-11-9-4-3-8(10)7-12-9/h3-4,7,13H,2,5-6H2,1H3,(H,11,12).
What are the key properties of N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide?
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103704919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).