4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide

C12H13ClN4O3S — CID 154127675

IUPAC4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-2-20-10-7-15-12(16-11(10)13)17-21(18,19)9-5-3-8(14)4-6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyZTQDORFBGHGELC-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.91
Rot. Bonds5

About 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide

4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 154127675) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID154127675
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-2-20-10-7-15-12(16-11(10)13)17-21(18,19)9-5-3-8(14)4-6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyZTQDORFBGHGELC-UHFFFAOYSA-N
XLogP1.91
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
CID 3616965
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide
CID 86120603
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934057
4-amino-N-(6-chloropyrimidin-4-yl)benzenesulfonamide
CID 20781945
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide
CID 165350307
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide (CID 154127675) is 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide is CCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1Cl.
What is the InChIKey of 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is ZTQDORFBGHGELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-2-20-10-7-15-12(16-11(10)13)17-21(18,19)9-5-3-8(14)4-6-9/h3-7H,2,14H2,1H3,(H,15,16,17).
What are the key properties of 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 154127675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).