N-(4-chloro-2-pyridinyl)butane-1-sulfonamide

C9H13ClN2O2S — CID 104821756

IUPACN-(4-chloro-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-9-7-8(10)4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyNNUHLPQVZBCXCW-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.28
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)butane-1-sulfonamide

N-(4-chloro-2-pyridinyl)butane-1-sulfonamide (PubChem CID 104821756) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)butane-1-sulfonamide
PubChem CID104821756
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC NameN-(4-chloro-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-9-7-8(10)4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyNNUHLPQVZBCXCW-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

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Related Compounds

N-(4-methyl-2-pyridinyl)butane-1-sulfonamide
CID 19683113
N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115968063
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
4-chloro-N-(propylsulfamoyl)pyridin-2-amine
CID 114813663
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(6-chloropyrazin-2-yl)butane-1-sulfonamide
CID 104821133
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)butane-1-sulfonamide (CID 104821756) is N-(4-chloro-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is NNUHLPQVZBCXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-2-3-6-15(13,14)12-9-7-8(10)4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12).
What are the key properties of N-(4-chloro-2-pyridinyl)butane-1-sulfonamide?
N-(4-chloro-2-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-(4-chloro-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 104821756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).