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

C21H20N4O4S2 — CID 23648917

IUPAC4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C21H20N4O4S2/c22-30(26,27)17-5-1-15(2-6-17)9-14-25-31(28,29)18-7-3-16(4-8-18)19-10-12-23-21-20(19)11-13-24-21/h1-8,10-13,25H,9,14H2,(H,23,24)(H2,22,26,27)
InChIKeyLNEFQZZLSLNGGN-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.40
Rot. Bonds7

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

4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 23648917) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide
PubChem CID23648917
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC Name4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C21H20N4O4S2/c22-30(26,27)17-5-1-15(2-6-17)9-14-25-31(28,29)18-7-3-16(4-8-18)19-10-12-23-21-20(19)11-13-24-21/h1-8,10-13,25H,9,14H2,(H,23,24)(H2,22,26,27)
InChIKeyLNEFQZZLSLNGGN-UHFFFAOYSA-N
XLogP2.40
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(methylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 44591531
N-[3-[2-(dimethylamino)ethoxy]propyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648916
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[(3S)-oxolan-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23649025
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807892
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
CID 70730320
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide (CID 23648917) is 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccnc4[nH]ccc34)cc2)cc1.
What is the InChIKey of 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is LNEFQZZLSLNGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c22-30(26,27)17-5-1-15(2-6-17)9-14-25-31(28,29)18-7-3-16(4-8-18)19-10-12-23-21-20(19)11-13-24-21/h1-8,10-13,25H,9,14H2,(H,23,24)(H2,22,26,27).
What are the key properties of 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide?
4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 456.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 23648917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).