1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide

C16H24N4O2S — CID 71851194

IUPAC1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C16H24N4O2S/c1-5-14(4)19-11-16(18-12-19)23(21,22)20(13(2)3)10-15-7-6-8-17-9-15/h6-9,11-14H,5,10H2,1-4H3
InChIKeyJXKIHVMXYBACHK-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.85
Rot. Bonds7

About 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide

1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide (PubChem CID 71851194) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide
PubChem CID71851194
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C16H24N4O2S/c1-5-14(4)19-11-16(18-12-19)23(21,22)20(13(2)3)10-15-7-6-8-17-9-15/h6-9,11-14H,5,10H2,1-4H3
InChIKeyJXKIHVMXYBACHK-UHFFFAOYSA-N
XLogP2.85
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide (CID 71851194) is 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)N(Cc2cccnc2)C(C)C)c1.
What is the InChIKey of 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is JXKIHVMXYBACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-5-14(4)19-11-16(18-12-19)23(21,22)20(13(2)3)10-15-7-6-8-17-9-15/h6-9,11-14H,5,10H2,1-4H3.
What are the key properties of 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide?
1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-propan-2-yl-N-(pyridin-3-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 71851194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).