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

C24H26N4O2S — CID 155523205

IUPACN-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-31(30,23-6-2-1-3-7-23)28-16-15-25-13-4-5-19-8-10-20(11-9-19)22-17-21-12-14-26-24(21)27-18-22/h1-3,6-12,14,17-18,25,28H,4-5,13,15-16H2,(H,26,27)
InChIKeyJOJUJDXKWGOXON-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.73
Rot. Bonds10

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

N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide (PubChem CID 155523205) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
PubChem CID155523205
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-31(30,23-6-2-1-3-7-23)28-16-15-25-13-4-5-19-8-10-20(11-9-19)22-17-21-12-14-26-24(21)27-18-22/h1-3,6-12,14,17-18,25,28H,4-5,13,15-16H2,(H,26,27)
InChIKeyJOJUJDXKWGOXON-UHFFFAOYSA-N
XLogP3.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.73
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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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
CID 155553628
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide
CID 158446862
N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 170502375
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide (CID 155523205) is N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 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)c1ccccc1.
What is the InChIKey of N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
The InChIKey is JOJUJDXKWGOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-31(30,23-6-2-1-3-7-23)28-16-15-25-13-4-5-19-8-10-20(11-9-19)22-17-21-12-14-26-24(21)27-18-22/h1-3,6-12,14,17-18,25,28H,4-5,13,15-16H2,(H,26,27).
What are the key properties of N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide?
N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide has a molecular weight of 434.57 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 155523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).