5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide

C23H23ClN4O3S — CID 20955994

IUPAC5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C23H23ClN4O3S/c1-16-6-8-17(9-7-16)22-27-19-5-3-12-25-23(19)28(22)14-4-13-26-32(29,30)21-15-18(24)10-11-20(21)31-2/h3,5-12,15,26H,4,13-14H2,1-2H3
InChIKeyQCVCEXCARFFUMS-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.44
Rot. Bonds8

About 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide

5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide (PubChem CID 20955994) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
PubChem CID20955994
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC Name5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C23H23ClN4O3S/c1-16-6-8-17(9-7-16)22-27-19-5-3-12-25-23(19)28(22)14-4-13-26-32(29,30)21-15-18(24)10-11-20(21)31-2/h3,5-12,15,26H,4,13-14H2,1-2H3
InChIKeyQCVCEXCARFFUMS-UHFFFAOYSA-N
XLogP4.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762247
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 50762350
N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20955990
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
CID 110292045
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide (CID 20955994) is 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide?
The InChIKey is QCVCEXCARFFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-16-6-8-17(9-7-16)22-27-19-5-3-12-25-23(19)28(22)14-4-13-26-32(29,30)21-15-18(24)10-11-20(21)31-2/h3,5-12,15,26H,4,13-14H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide has a molecular weight of 470.98 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 20955994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).