4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride

C13H11Cl2N3O3S — CID 23325374

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-c1nc2ccncc2[nH]1.Cl
InChIInChI=1S/C13H10ClN3O3S.ClH/c1-20-12-6-8(21(14,18)19)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13;/h2-7H,1H3,(H,16,17);1H
InChIKeyUFRYZRXNTSPOCV-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.98
Rot. Bonds3

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride

4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride (PubChem CID 23325374) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride
PubChem CID23325374
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-c1nc2ccncc2[nH]1.Cl
InChIInChI=1S/C13H10ClN3O3S.ClH/c1-20-12-6-8(21(14,18)19)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13;/h2-7H,1H3,(H,16,17);1H
InChIKeyUFRYZRXNTSPOCV-UHFFFAOYSA-N
XLogP2.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
CID 19821943
2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
CID 19822016
2-(4-methoxy-2-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450844
ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate
CID 19821929
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(4-methoxy-2-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13145901
2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 19896798
3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837
CID 67411928
CID 67411928
1-(3,5-dichlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-4-methoxyphenyl]thiourea
CID 10138373

Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride (CID 23325374) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride is COc1cc(S(=O)(=O)Cl)ccc1-c1nc2ccncc2[nH]1.Cl.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride?
The InChIKey is UFRYZRXNTSPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S.ClH/c1-20-12-6-8(21(14,18)19)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13;/h2-7H,1H3,(H,16,17);1H.
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride?
4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride has a molecular weight of 360.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride is sourced from PubChem (CID 23325374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).