N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide

C18H15FN4O2S2 — CID 53022404

IUPACN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN4O2S2/c19-14-7-5-13(6-8-14)12-23-16(22-15-3-1-9-20-18(15)23)11-21-27(24,25)17-4-2-10-26-17/h1-10,21H,11-12H2
InChIKeyWLJWIULCGBCDEE-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.16
Rot. Bonds6

About N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide

N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 53022404) has the molecular formula C18H15FN4O2S2 and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID53022404
Molecular FormulaC18H15FN4O2S2
Molecular Weight402.48 g/mol
Exact Mass402.06
IUPAC NameN-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN4O2S2/c19-14-7-5-13(6-8-14)12-23-16(22-15-3-1-9-20-18(15)23)11-21-27(24,25)17-4-2-10-26-17/h1-10,21H,11-12H2
InChIKeyWLJWIULCGBCDEE-UHFFFAOYSA-N
XLogP3.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide (CID 53022404) is N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is WLJWIULCGBCDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S2/c19-14-7-5-13(6-8-14)12-23-16(22-15-3-1-9-20-18(15)23)11-21-27(24,25)17-4-2-10-26-17/h1-10,21H,11-12H2.
What are the key properties of N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide?
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53022404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).