N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide

C16H16N4O2S — CID 10314435

IUPACN-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
SMILESCc1[nH]c(-c2ccccc2NS(C)(=O)=O)nc1-c1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-11-15(12-6-5-9-17-10-12)19-16(18-11)13-7-3-4-8-14(13)20-23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
InChIKeyRJLDSGIYCIBIKQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide

N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide (PubChem CID 10314435) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
PubChem CID10314435
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
SMILESCc1[nH]c(-c2ccccc2NS(C)(=O)=O)nc1-c1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-11-15(12-6-5-9-17-10-12)19-16(18-11)13-7-3-4-8-14(13)20-23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
InChIKeyRJLDSGIYCIBIKQ-UHFFFAOYSA-N
XLogP2.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ngd 94-1
CID 188942
FR-79620
CID 10421577
N-[3-(Cyclohexylidene-1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
CID 6603710
Arpromidine
CID 65895
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
3-((1H-imidazol-4-yl)methyl)pyridine
CID 9812843
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761
Bag-1
CID 25025860
2-[2-(4-Phenyl-1h-Imidazol-2-Yl)ethyl]quinoxaline
CID 54755130

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide (CID 10314435) is N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide is Cc1[nH]c(-c2ccccc2NS(C)(=O)=O)nc1-c1cccnc1.
What is the InChIKey of N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is RJLDSGIYCIBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-15(12-6-5-9-17-10-12)19-16(18-11)13-7-3-4-8-14(13)20-23(2,21)22/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide?
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 10314435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).