4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide

C17H16N4O3S — CID 15293859

IUPAC4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-24-13-7-9-14(10-8-13)25(22,23)21-16-6-3-2-5-15(16)20-17-18-11-4-12-19-17/h2-12,21H,1H3,(H,18,19,20)
InChIKeySIGIWCHUVCPWAM-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.03
Rot. Bonds6

About 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide

4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide (PubChem CID 15293859) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
PubChem CID15293859
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Nc2ncccn2)cc1
InChIInChI=1S/C17H16N4O3S/c1-24-13-7-9-14(10-8-13)25(22,23)21-16-6-3-2-5-15(16)20-17-18-11-4-12-19-17/h2-12,21H,1H3,(H,18,19,20)
InChIKeySIGIWCHUVCPWAM-UHFFFAOYSA-N
XLogP3.03
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]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-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15293874
[4-[[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]amino]phenyl] hydrogen sulfate
CID 15294822
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide (CID 15293859) is 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Nc2ncccn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The InChIKey is SIGIWCHUVCPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-13-7-9-14(10-8-13)25(22,23)21-16-6-3-2-5-15(16)20-17-18-11-4-12-19-17/h2-12,21H,1H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide has a molecular weight of 356.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 15293859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).