N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide

C16H16N4O3S — CID 53185087

IUPACN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCN(Cc1cccnc1Oc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C16H16N4O3S/c1-20(24(21,22)15-10-17-12-19-15)11-13-6-5-9-18-16(13)23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyIEVUCOHGLVEIFG-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide

N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 53185087) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID53185087
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCN(Cc1cccnc1Oc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C16H16N4O3S/c1-20(24(21,22)15-10-17-12-19-15)11-13-6-5-9-18-16(13)23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyIEVUCOHGLVEIFG-UHFFFAOYSA-N
XLogP2.42
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide (CID 53185087) is N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide is CN(Cc1cccnc1Oc1ccccc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is IEVUCOHGLVEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20(24(21,22)15-10-17-12-19-15)11-13-6-5-9-18-16(13)23-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,17,19).
What are the key properties of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide?
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 53185087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).