3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide

C12H20ClN3O2S — CID 54877697

IUPAC3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)CCCCl)cn1
InChIInChI=1S/C12H20ClN3O2S/c1-3-16(4-2)12-7-6-11(10-14-12)15-19(17,18)9-5-8-13/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyIKUJNQCGVAZMBX-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.30
Rot. Bonds8

About 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide

3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 54877697) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID54877697
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)CCCCl)cn1
InChIInChI=1S/C12H20ClN3O2S/c1-3-16(4-2)12-7-6-11(10-14-12)15-19(17,18)9-5-8-13/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyIKUJNQCGVAZMBX-UHFFFAOYSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-[6-(N-ethylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113017610
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
CID 106072665
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
CID 54877695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide (CID 54877697) is 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)CCCCl)cn1.
What is the InChIKey of 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is IKUJNQCGVAZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-3-16(4-2)12-7-6-11(10-14-12)15-19(17,18)9-5-8-13/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide?
3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 54877697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).