3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide

C22H17ClN4O3S — CID 170393217

IUPAC3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3Cl)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-20-12-5-4-11-18(20)19-14-25-22(26-21(19)30-16-8-2-1-3-9-16)27-31(28,29)17-10-6-7-15(24)13-17/h1-14H,24H2,(H,25,26,27)
InChIKeyNQZUZWZWPCGQLF-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.97
Rot. Bonds6

About 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide

3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170393217) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170393217
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3Cl)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-20-12-5-4-11-18(20)19-14-25-22(26-21(19)30-16-8-2-1-3-9-16)27-31(28,29)17-10-6-7-15(24)13-17/h1-14H,24H2,(H,25,26,27)
InChIKeyNQZUZWZWPCGQLF-UHFFFAOYSA-N
XLogP4.97
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-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

3-amino-N-[5-(2-methoxyphenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393218
3-amino-N-[5-(2-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393200
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-[5-(4-cyanophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393219
3-[2-[(3-aminophenyl)sulfonylamino]-6-chloro-5-ethylpyrimidin-4-yl]oxybenzoic acid
CID 163243026
3-amino-N-[4-(4-chlorophenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 170392697
3-amino-N-isoquinolin-6-ylbenzenesulfonamide
CID 122455242
3-amino-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 163247404
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-amino-N-[4-chloro-6-(2-methylphenyl)-5-propan-2-ylpyrimidin-2-yl]benzenesulfonamide
CID 163246934

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170393217) is 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3Cl)c(Oc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is NQZUZWZWPCGQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-20-12-5-4-11-18(20)19-14-25-22(26-21(19)30-16-8-2-1-3-9-16)27-31(28,29)17-10-6-7-15(24)13-17/h1-14H,24H2,(H,25,26,27).
What are the key properties of 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide?
3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 452.92 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170393217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).