4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C24H33N7O4S — CID 25155393

IUPAC4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Nc2nc(N3CCC(CO)CC3)c3cc[nH]c3n2)cc1
InChIInChI=1S/C24H33N7O4S/c32-17-18-6-10-31(11-7-18)23-21-5-8-25-22(21)28-24(29-23)27-19-1-3-20(4-2-19)36(33,34)26-9-12-30-13-15-35-16-14-30/h1-5,8,18,26,32H,6-7,9-17H2,(H2,25,27,28,29)
InChIKeyPGSXIJDROAYTDN-UHFFFAOYSA-N
MW515.64 g/mol
LogP1.52
Rot. Bonds9

About 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 25155393) has the molecular formula C24H33N7O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID25155393
Molecular FormulaC24H33N7O4S
Molecular Weight515.64 g/mol
Exact Mass515.23
IUPAC Name4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Nc2nc(N3CCC(CO)CC3)c3cc[nH]c3n2)cc1
InChIInChI=1S/C24H33N7O4S/c32-17-18-6-10-31(11-7-18)23-21-5-8-25-22(21)28-24(29-23)27-19-1-3-20(4-2-19)36(33,34)26-9-12-30-13-15-35-16-14-30/h1-5,8,18,26,32H,6-7,9-17H2,(H2,25,27,28,29)
InChIKeyPGSXIJDROAYTDN-UHFFFAOYSA-N
XLogP1.52
TPSA135.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazine-1-carbaldehyde;ethane
CID 143883161
2-[4-[1-[4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 155756411
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
2-[4-[4-[[4-(3-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetaldehyde
CID 87187605
3-[[4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25155134
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
4-N-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175393899
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 25155393) is 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(Nc2nc(N3CCC(CO)CC3)c3cc[nH]c3n2)cc1.
What is the InChIKey of 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is PGSXIJDROAYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4S/c32-17-18-6-10-31(11-7-18)23-21-5-8-25-22(21)28-24(29-23)27-19-1-3-20(4-2-19)36(33,34)26-9-12-30-13-15-35-16-14-30/h1-5,8,18,26,32H,6-7,9-17H2,(H2,25,27,28,29).
What are the key properties of 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 515.64 g/mol, XLogP of 1.52, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(hydroxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 25155393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).