5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H14ClN3O2S — CID 53145359

IUPAC5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-2-3-10(6-11(9)14)20(18,19)17-5-4-12-13(7-17)16-8-15-12/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyQVGXXHDSLYLQBQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.12
Rot. Bonds2

About 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145359) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145359
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-2-3-10(6-11(9)14)20(18,19)17-5-4-12-13(7-17)16-8-15-12/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyQVGXXHDSLYLQBQ-UHFFFAOYSA-N
XLogP2.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145333
5-(2,5-dichlorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145322
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)benzoic acid
CID 110712843
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145337
5-thiophen-2-ylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145331
6-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646847
N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187637
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145359) is 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QVGXXHDSLYLQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-2-3-10(6-11(9)14)20(18,19)17-5-4-12-13(7-17)16-8-15-12/h2-3,6,8H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 311.79 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).