5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

C17H18ClN3O3S — CID 53144771

IUPAC5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C17H18ClN3O3S/c1-21-11-12(14-4-3-8-19-17(14)21)7-9-20-25(22,23)16-10-13(18)5-6-15(16)24-2/h3-6,8,10-11,20H,7,9H2,1-2H3
InChIKeyOGODYGGSGNKSSZ-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.76
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 53144771) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID53144771
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C17H18ClN3O3S/c1-21-11-12(14-4-3-8-19-17(14)21)7-9-20-25(22,23)16-10-13(18)5-6-15(16)24-2/h3-6,8,10-11,20H,7,9H2,1-2H3
InChIKeyOGODYGGSGNKSSZ-UHFFFAOYSA-N
XLogP2.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
5-chloro-2-methoxy-N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]benzenesulfonamide
CID 20955994
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144918
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 53144771) is 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c2ncccc12.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is OGODYGGSGNKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-21-11-12(14-4-3-8-19-17(14)21)7-9-20-25(22,23)16-10-13(18)5-6-15(16)24-2/h3-6,8,10-11,20H,7,9H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53144771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).