2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide

C13H14ClN3O2S — CID 43456385

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-3-10-6-4-5-9(2)12(10)17-20(18,19)11-7-15-13(14)16-8-11/h4-8,17H,3H2,1-2H3
InChIKeySKQYOPPFPWTQER-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide

2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide (PubChem CID 43456385) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
PubChem CID43456385
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-3-10-6-4-5-9(2)12(10)17-20(18,19)11-7-15-13(14)16-8-11/h4-8,17H,3H2,1-2H3
InChIKeySKQYOPPFPWTQER-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfaperin
CID 68933
5-(tert-Butylsulfonyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 603738
4-(4-Phenylpyrimidin-2-ylamino)benzenesulfonamide
CID 11558904
2-amino-N-(3-chlorobenzyl)-5-pyrimidinesulfonamide
CID 16031269
1-(2,4-Dimethylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 2426029
5-[4-(2,5-Dimethylphenyl)piperazin-1-yl]sulfonylpyrimidin-2-amine
CID 16031231
US10172856, Example 80
CID 135350562
US10172856, Example 81
CID 135350867
2-amino-N-[(4-fluorophenyl)methyl]pyrimidine-5-sulfonamide
CID 16031235
2-amino-N-benzylpyrimidine-5-sulfonamide
CID 16031257
2-amino-N-[(4-chlorophenyl)methyl]pyrimidine-5-sulfonamide
CID 16031261
2-Amino-N~5~-(2-fluorobenzyl)-5-pyrimidinesulfonamide
CID 16031263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide (CID 43456385) is 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is SKQYOPPFPWTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-3-10-6-4-5-9(2)12(10)17-20(18,19)11-7-15-13(14)16-8-11/h4-8,17H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).