N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

C24H24N4O4S — CID 55835790

IUPACN-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24N4O4S/c29-24(18-5-7-20(8-6-18)33(30,31)27-15-19-3-2-14-32-19)28-12-9-17(10-13-28)22-16-26-23-21(22)4-1-11-25-23/h1-8,11,14,16-17,27H,9-10,12-13,15H2,(H,25,26)
InChIKeyRCGHQZDEFOSWGW-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.65
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55835790) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55835790
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24N4O4S/c29-24(18-5-7-20(8-6-18)33(30,31)27-15-19-3-2-14-32-19)28-12-9-17(10-13-28)22-16-26-23-21(22)4-1-11-25-23/h1-8,11,14,16-17,27H,9-10,12-13,15H2,(H,25,26)
InChIKeyRCGHQZDEFOSWGW-UHFFFAOYSA-N
XLogP3.65
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 55835790) is N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is RCGHQZDEFOSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c29-24(18-5-7-20(8-6-18)33(30,31)27-15-19-3-2-14-32-19)28-12-9-17(10-13-28)22-16-26-23-21(22)4-1-11-25-23/h1-8,11,14,16-17,27H,9-10,12-13,15H2,(H,25,26).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55835790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).