N-(6-chloro-3-pyridinyl)butane-1-sulfonamide

C9H13ClN2O2S — CID 107095360

IUPACN-(6-chloro-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-8-4-5-9(10)11-7-8/h4-5,7,12H,2-3,6H2,1H3
InChIKeyCJAOASSWNVRWMQ-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.28
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)butane-1-sulfonamide

N-(6-chloro-3-pyridinyl)butane-1-sulfonamide (PubChem CID 107095360) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)butane-1-sulfonamide
PubChem CID107095360
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC NameN-(6-chloro-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-8-4-5-9(10)11-7-8/h4-5,7,12H,2-3,6H2,1H3
InChIKeyCJAOASSWNVRWMQ-UHFFFAOYSA-N
XLogP2.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 54877697
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
CID 103798273
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-(6-chloropyrazin-2-yl)butane-1-sulfonamide
CID 104821133

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)butane-1-sulfonamide (CID 107095360) is N-(6-chloro-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is CJAOASSWNVRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-8-4-5-9(10)11-7-8/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of N-(6-chloro-3-pyridinyl)butane-1-sulfonamide?
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 248.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 107095360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).