N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide

C17H16N4O2S — CID 3233458

IUPACN-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cncnc2Nc2ccccc2)c1
InChIInChI=1S/C17H16N4O2S/c1-24(22,23)21-15-9-5-6-13(10-15)16-11-18-12-19-17(16)20-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,18,19,20)
InChIKeyFQADBTYCLZSYEP-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide

N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide (PubChem CID 3233458) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
PubChem CID3233458
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cncnc2Nc2ccccc2)c1
InChIInChI=1S/C17H16N4O2S/c1-24(22,23)21-15-9-5-6-13(10-15)16-11-18-12-19-17(16)20-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,18,19,20)
InChIKeyFQADBTYCLZSYEP-UHFFFAOYSA-N
XLogP3.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide 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

3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
4-(4-anilinopyrimidin-5-yl)-N,N-dimethylbenzamide
CID 3235503
N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
CID 87944678
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 71729400
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
6-anilinoquinazoline-5,8-dione
CID 11776927
N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
CID 121416216
5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 169410707
N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
CID 11754161
N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide (CID 3233458) is N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cncnc2Nc2ccccc2)c1.
What is the InChIKey of N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide?
The InChIKey is FQADBTYCLZSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-24(22,23)21-15-9-5-6-13(10-15)16-11-18-12-19-17(16)20-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,18,19,20).
What are the key properties of N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide?
N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 3233458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).