N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide

C12H16N4O2S — CID 90608258

IUPACN-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H16N4O2S/c1-2-3-8-19(17,18)15-11-4-5-12(14-9-11)16-7-6-13-10-16/h4-7,9-10,15H,2-3,8H2,1H3
InChIKeyRZVYEZBLLHEOOH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.81
Rot. Bonds6

About N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide

N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide (PubChem CID 90608258) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
PubChem CID90608258
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H16N4O2S/c1-2-3-8-19(17,18)15-11-4-5-12(14-9-11)16-7-6-13-10-16/h4-7,9-10,15H,2-3,8H2,1H3
InChIKeyRZVYEZBLLHEOOH-UHFFFAOYSA-N
XLogP1.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butane-1-sulfonamide
CID 122313112
N-heptan-3-yl-6-imidazol-1-ylpyridin-3-amine
CID 63945117
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 56777957
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015557
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide (CID 90608258) is N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is RZVYEZBLLHEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-3-8-19(17,18)15-11-4-5-12(14-9-11)16-7-6-13-10-16/h4-7,9-10,15H,2-3,8H2,1H3.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide?
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 90608258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).