N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide

C19H16N4O2S — CID 117078224

IUPACN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C19H16N4O2S/c24-26(25,23-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)18-17-10-11-20-19(17)22-13-21-18/h1-11,13,23H,12H2,(H,20,21,22)
InChIKeyKBIKVAHJYJUDMV-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide

N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide (PubChem CID 117078224) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
PubChem CID117078224
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C19H16N4O2S/c24-26(25,23-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)18-17-10-11-20-19(17)22-13-21-18/h1-11,13,23H,12H2,(H,20,21,22)
InChIKeyKBIKVAHJYJUDMV-UHFFFAOYSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)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

N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 117078222
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
N-benzyl-4-(4,5-dimethylpyridazin-3-yl)benzenesulfonamide
CID 157019017
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
N-benzyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanamide
CID 57477866
N-benzyl-3-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]methyl]benzamide
CID 57477916
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
N-benzyl-4-(1-oxoisochromen-3-yl)benzenesulfonamide
CID 171716746
4-[1-[1-(benzenesulfonyl)piperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 155534619
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-(benzylsulfamoyl)benzoate
CID 4743721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide (CID 117078224) is N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(-c2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The InChIKey is KBIKVAHJYJUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-26(25,23-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)18-17-10-11-20-19(17)22-13-21-18/h1-11,13,23H,12H2,(H,20,21,22).
What are the key properties of N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 117078224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).