N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide

C23H24FN3O2S — CID 90313567

IUPACN-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1
InChIInChI=1S/C23H24FN3O2S/c1-23(2,3)27-30(28,29)21-7-5-4-6-19(21)15-8-9-18(20(24)13-15)17-12-16-10-11-25-22(16)26-14-17/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyNFZSPNUOQUUWTM-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.60
Rot. Bonds4

About N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide

N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide (PubChem CID 90313567) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide
PubChem CID90313567
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1
InChIInChI=1S/C23H24FN3O2S/c1-23(2,3)27-30(28,29)21-7-5-4-6-19(21)15-8-9-18(20(24)13-15)17-12-16-10-11-25-22(16)26-14-17/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyNFZSPNUOQUUWTM-UHFFFAOYSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide (CID 90313567) is N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1.
What is the InChIKey of N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide?
The InChIKey is NFZSPNUOQUUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-23(2,3)27-30(28,29)21-7-5-4-6-19(21)15-8-9-18(20(24)13-15)17-12-16-10-11-25-22(16)26-14-17/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26).
What are the key properties of N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide?
N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide has a molecular weight of 425.53 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 90313567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).