2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide

C12H14N4O2S — CID 62142790

IUPAC2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-9-3-5-10(6-4-9)16-19(17,18)11-7-14-12(13)15-8-11/h3-8,16H,2H2,1H3,(H2,13,14,15)
InChIKeyCYJDASGMOBESHI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide

2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide (PubChem CID 62142790) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
PubChem CID62142790
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-9-3-5-10(6-4-9)16-19(17,18)11-7-14-12(13)15-8-11/h3-8,16H,2H2,1H3,(H2,13,14,15)
InChIKeyCYJDASGMOBESHI-UHFFFAOYSA-N
XLogP1.42
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-(4-ethylphenyl)pyridine-3-sulfonamide
CID 64608503
2-amino-N-phenylpyrimidine-5-sulfonamide
CID 46360874
methyl 4-[(2-aminopyrimidin-5-yl)sulfonylamino]benzoate
CID 22582879
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide (CID 62142790) is 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide is CCc1ccc(NS(=O)(=O)c2cnc(N)nc2)cc1.
What is the InChIKey of 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is CYJDASGMOBESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-9-3-5-10(6-4-9)16-19(17,18)11-7-14-12(13)15-8-11/h3-8,16H,2H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide?
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62142790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).