N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide

C18H10ClF2N3O4S — CID 141163602

IUPACN-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2ccco2)c1F)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C18H10ClF2N3O4S/c19-9-6-10-11(8-23-18(10)22-7-9)17(25)15-12(20)3-4-13(16(15)21)24-29(26,27)14-2-1-5-28-14/h1-8,24H,(H,22,23)
InChIKeyQWSXUORJWOWUGU-UHFFFAOYSA-N
MW437.81 g/mol
LogP4.12
Rot. Bonds5

About N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide

N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide (PubChem CID 141163602) has the molecular formula C18H10ClF2N3O4S and a molecular weight of 437.81 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide
PubChem CID141163602
Molecular FormulaC18H10ClF2N3O4S
Molecular Weight437.81 g/mol
Exact Mass437.00
IUPAC NameN-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2ccco2)c1F)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C18H10ClF2N3O4S/c19-9-6-10-11(8-23-18(10)22-7-9)17(25)15-12(20)3-4-13(16(15)21)24-29(26,27)14-2-1-5-28-14/h1-8,24H,(H,22,23)
InChIKeyQWSXUORJWOWUGU-UHFFFAOYSA-N
XLogP4.12
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(N-[2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1 sulfonamide)
CID 58086298
N-[2,4-Difluoro-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3-fluoro-4-methoxy-benzenesulfonamide
CID 44512163
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2-fluorobenzenesulfonamide
CID 49779043
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 49779044
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide
CID 49779045
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-sulfonamide
CID 49779312
N-[3-[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 49779527
N-[2,4-difluoro-3-[5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779913
N-[2,4-difluoro-3-[5-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779915
N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2-fluorobenzenesulfonamide
CID 49779973
N-[3-(4-Ethoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-4-propyl-benzenesulfonamide
CID 53237745
N-[3-(4-Ethoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-4-trifluoromethyl-benzenesulfonamide
CID 53238439

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide?
The IUPAC name of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide (CID 141163602) is N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide.
What is the SMILES notation for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide?
The canonical SMILES for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide is O=C(c1c(F)ccc(NS(=O)(=O)c2ccco2)c1F)c1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide?
The InChIKey is QWSXUORJWOWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3O4S/c19-9-6-10-11(8-23-18(10)22-7-9)17(25)15-12(20)3-4-13(16(15)21)24-29(26,27)14-2-1-5-28-14/h1-8,24H,(H,22,23).
What are the key properties of N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide?
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide has a molecular weight of 437.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]furan-2-sulfonamide is sourced from PubChem (CID 141163602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).