N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide

C22H20ClN5O3S — CID 166752299

IUPACN-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
SMILESC=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cn(C)c2ncccc12
InChIInChI=1S/C22H20ClN5O3S/c1-14(19-13-28(2)21-18(19)5-4-10-24-21)26-17-11-20(22(31-3)25-12-17)32(29,30)27-16-8-6-15(23)7-9-16/h4-13,26-27H,1H2,2-3H3
InChIKeySFEVJKRSJPSRMP-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.51
Rot. Bonds7

About N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide

N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide (PubChem CID 166752299) has the molecular formula C22H20ClN5O3S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
PubChem CID166752299
Molecular FormulaC22H20ClN5O3S
Molecular Weight469.95 g/mol
Exact Mass469.10
IUPAC NameN-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
SMILESC=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cn(C)c2ncccc12
InChIInChI=1S/C22H20ClN5O3S/c1-14(19-13-28(2)21-18(19)5-4-10-24-21)26-17-11-20(22(31-3)25-12-17)32(29,30)27-16-8-6-15(23)7-9-16/h4-13,26-27H,1H2,2-3H3
InChIKeySFEVJKRSJPSRMP-UHFFFAOYSA-N
XLogP4.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide (CID 166752299) is N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide is C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cn(C)c2ncccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide?
The InChIKey is SFEVJKRSJPSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3S/c1-14(19-13-28(2)21-18(19)5-4-10-24-21)26-17-11-20(22(31-3)25-12-17)32(29,30)27-16-8-6-15(23)7-9-16/h4-13,26-27H,1H2,2-3H3.
What are the key properties of N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide?
N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide has a molecular weight of 469.95 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 166752299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).