5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine

C12H13N3O3S — CID 95483159

IUPAC5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H13N3O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyYLHPEYZXFHOLAV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.29
Rot. Bonds4

About 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine

5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine (PubChem CID 95483159) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
PubChem CID95483159
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H13N3O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyYLHPEYZXFHOLAV-UHFFFAOYSA-N
XLogP1.29
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
4-ethoxybenzenesulfonic acid
CID 7013020
(4-ethoxyphenyl)sulfonylformamide
CID 117038031
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
pyridin-2-yl 4-ethoxybenzenesulfonate
CID 2139779
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine (CID 95483159) is 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine is CCOc1ccc(S(=O)(=O)c2cnc(N)nc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine?
The InChIKey is YLHPEYZXFHOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine?
5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 95483159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).