N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide

C8H12ClN3O2S — CID 116798844

IUPACN-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-6-15(13,14)12-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3,(H,10,11,12)
InChIKeyDUNYHJJQBPQOSI-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.67
Rot. Bonds5

About N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide

N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide (PubChem CID 116798844) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
PubChem CID116798844
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-6-15(13,14)12-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3,(H,10,11,12)
InChIKeyDUNYHJJQBPQOSI-UHFFFAOYSA-N
XLogP1.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756
N-(4-methyl-2-pyridinyl)butane-1-sulfonamide
CID 19683113
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
N-(6-chloropyrazin-2-yl)butane-1-sulfonamide
CID 104821133
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
3-[(2-chloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 62342869
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
CID 114813679
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide (CID 116798844) is N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide?
The InChIKey is DUNYHJJQBPQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-2-3-6-15(13,14)12-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3,(H,10,11,12).
What are the key properties of N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide?
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 116798844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).