N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide

C16H17ClN4O2S — CID 12056537

IUPACN-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCCN2Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN4O2S/c1-12-2-5-14(6-3-12)24(22,23)20-16-18-8-9-21(16)11-13-4-7-15(17)19-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyMOKKKWQDTSLFBC-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.19
Rot. Bonds4

About N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide

N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 12056537) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID12056537
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCCN2Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN4O2S/c1-12-2-5-14(6-3-12)24(22,23)20-16-18-8-9-21(16)11-13-4-7-15(17)19-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyMOKKKWQDTSLFBC-UHFFFAOYSA-N
XLogP2.19
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]methanesulfonamide
CID 12056540
N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 162345034
N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
CID 102506802
N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide
CID 134093433
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 138974549
N-[(E)-[[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-(trifluoromethylsulfonyl)methylidene]amino]-2,6-dimethylaniline
CID 123284899
1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 10176894
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60532408
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
1-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-1-nitropentan-2-one
CID 54295305
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide (CID 12056537) is N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCCN2Cc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MOKKKWQDTSLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-12-2-5-14(6-3-12)24(22,23)20-16-18-8-9-21(16)11-13-4-7-15(17)19-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 12056537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).