4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C13H15N3O2S — CID 17377245

IUPAC4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-11-4-6-12(7-5-11)19(17,18)16-13-14-9-8-10(2)15-13/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyABYYKIUJKRXDJS-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.15
Rot. Bonds4

About 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 17377245) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID17377245
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-11-4-6-12(7-5-11)19(17,18)16-13-14-9-8-10(2)15-13/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyABYYKIUJKRXDJS-UHFFFAOYSA-N
XLogP2.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
CID 139196182
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide
CID 25035369
2-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 17225176
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 23276786

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 17377245) is 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is ABYYKIUJKRXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-11-4-6-12(7-5-11)19(17,18)16-13-14-9-8-10(2)15-13/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 17377245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).