ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide

C13H17N3O2S — CID 144505728

IUPACethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
SMILESCC.Cc1ncncc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H11N3O2S.C2H6/c1-8-11(6-13-7-14-8)9-3-2-4-10(5-9)17(12,15)16;1-2/h2-7H,1H3,(H2,12,15,16);1-2H3
InChIKeyVVZARAUWNWLJTB-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.13
Rot. Bonds2

About ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide

ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 144505728) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Nameethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
PubChem CID144505728
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Nameethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
SMILESCC.Cc1ncncc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H11N3O2S.C2H6/c1-8-11(6-13-7-14-8)9-3-2-4-10(5-9)17(12,15)16;1-2/h2-7H,1H3,(H2,12,15,16);1-2H3
InChIKeyVVZARAUWNWLJTB-UHFFFAOYSA-N
XLogP2.13
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpyrimidin-5-yl)pyridine-2-sulfonamide
CID 90168227
4-methyl-5-(3-methylphenyl)pyrimidine
CID 178100912
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
3-(3,5-dimethylphenyl)benzenesulfonamide
CID 140585676
3-bromo-4-methyl-5-(3-methylsulfonylphenyl)pyridine
CID 170459888
benzene-1,3-disulfonamide
CID 3090044
3-methylbenzenesulfonamide
CID 69347063
5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
CID 59860041
4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine
CID 170732041
3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 68634957
3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 22049774
3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 126731002

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide (CID 144505728) is ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide is CC.Cc1ncncc1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is VVZARAUWNWLJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S.C2H6/c1-8-11(6-13-7-14-8)9-3-2-4-10(5-9)17(12,15)16;1-2/h2-7H,1H3,(H2,12,15,16);1-2H3.
What are the key properties of ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide?
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 144505728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).