4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide

C24H25ClN4O2S — CID 155526035

IUPAC4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2S/c25-22-7-9-23(10-8-22)32(30,31)29-15-14-26-12-1-2-18-3-5-19(6-4-18)21-16-20-11-13-27-24(20)28-17-21/h3-11,13,16-17,26,29H,1-2,12,14-15H2,(H,27,28)
InChIKeyKFJHQVLKIIPHNG-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.38
Rot. Bonds10

About 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide

4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide (PubChem CID 155526035) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
PubChem CID155526035
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2S/c25-22-7-9-23(10-8-22)32(30,31)29-15-14-26-12-1-2-18-3-5-19(6-4-18)21-16-20-11-13-27-24(20)28-17-21/h3-11,13,16-17,26,29H,1-2,12,14-15H2,(H,27,28)
InChIKeyKFJHQVLKIIPHNG-UHFFFAOYSA-N
XLogP4.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide (CID 155526035) is 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide is O=S(=O)(NCCNCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The InChIKey is KFJHQVLKIIPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c25-22-7-9-23(10-8-22)32(30,31)29-15-14-26-12-1-2-18-3-5-19(6-4-18)21-16-20-11-13-27-24(20)28-17-21/h3-11,13,16-17,26,29H,1-2,12,14-15H2,(H,27,28).
What are the key properties of 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide has a molecular weight of 469.01 g/mol, XLogP of 4.38, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 155526035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).