N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide

C19H17N5O2S — CID 67996291

IUPACN-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4ccccc4)cc23)c1
InChIInChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)22-12-21-18/h2-12,20H,1H3,(H2,21,22,23,24)
InChIKeyZDCFCBAJUCODDS-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide

N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 67996291) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID67996291
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4ccccc4)cc23)c1
InChIInChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)22-12-21-18/h2-12,20H,1H3,(H2,21,22,23,24)
InChIKeyZDCFCBAJUCODDS-UHFFFAOYSA-N
XLogP3.28
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide (CID 67996291) is N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4ccccc4)cc23)c1.
What is the InChIKey of N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is ZDCFCBAJUCODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)22-12-21-18/h2-12,20H,1H3,(H2,21,22,23,24).
What are the key properties of N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide?
N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 67996291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).