[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol

C14H16ClN3O3S — CID 131695843

IUPAC[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol
SMILESCn1cnc2c1CC(CO)N(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C14H16ClN3O3S/c1-17-9-16-12-7-18(10(8-19)6-13(12)17)22(20,21)14-5-3-2-4-11(14)15/h2-5,9-10,19H,6-8H2,1H3
InChIKeyIRPLMNAQNIQQDC-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.18
Rot. Bonds3

About [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol

[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol (PubChem CID 131695843) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol
PubChem CID131695843
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol
SMILESCn1cnc2c1CC(CO)N(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C14H16ClN3O3S/c1-17-9-16-12-7-18(10(8-19)6-13(12)17)22(20,21)14-5-3-2-4-11(14)15/h2-5,9-10,19H,6-8H2,1H3
InChIKeyIRPLMNAQNIQQDC-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol?
The IUPAC name of [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol (CID 131695843) is [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol.
What is the SMILES notation for [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol?
The canonical SMILES for [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol is Cn1cnc2c1CC(CO)N(S(=O)(=O)c1ccccc1Cl)C2.
What is the InChIKey of [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol?
The InChIKey is IRPLMNAQNIQQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-17-9-16-12-7-18(10(8-19)6-13(12)17)22(20,21)14-5-3-2-4-11(14)15/h2-5,9-10,19H,6-8H2,1H3.
What are the key properties of [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol?
[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol has a molecular weight of 341.82 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol is sourced from PubChem (CID 131695843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).