N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

C18H18FN3O3S — CID 58251990

IUPACN-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C18H18FN3O3S/c1-2-8-26(24,25)22-15-5-3-4-14(17(15)19)16(23)10-12-9-13-6-7-20-18(13)21-11-12/h3-7,9,11,22H,2,8,10H2,1H3,(H,20,21)
InChIKeyKONVYEVPEJODPV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.28
Rot. Bonds7

About N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 58251990) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
PubChem CID58251990
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C18H18FN3O3S/c1-2-8-26(24,25)22-15-5-3-4-14(17(15)19)16(23)10-12-9-13-6-7-20-18(13)21-11-12/h3-7,9,11,22H,2,8,10H2,1H3,(H,20,21)
InChIKeyKONVYEVPEJODPV-UHFFFAOYSA-N
XLogP3.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227803
N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58251991
N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58252021
N-[2-fluoro-3-(quinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71537906
N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
CID 146277606
N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58252019
N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227721
N-[3-[2-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58252023
N-[2,4-difluoro-3-[2-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58095331
N-[3-[2-(3-bromo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58227744
3-(3-methylphenyl)-2-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide
CID 67192733
N-[3-bromo-5-[2-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 58097460

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (CID 58251990) is N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]ccc3c2)c1F.
What is the InChIKey of N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is KONVYEVPEJODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-2-8-26(24,25)22-15-5-3-4-14(17(15)19)16(23)10-12-9-13-6-7-20-18(13)21-11-12/h3-7,9,11,22H,2,8,10H2,1H3,(H,20,21).
What are the key properties of N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58251990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).