2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide

C12H18ClN3O2S — CID 64921363

IUPAC2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cnc(Cl)nc2)C1C
InChIInChI=1S/C12H18ClN3O2S/c1-3-9-4-5-11(8(9)2)16-19(17,18)10-6-14-12(13)15-7-10/h6-9,11,16H,3-5H2,1-2H3
InChIKeyZIWCICGWJXUUHE-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide

2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide (PubChem CID 64921363) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
PubChem CID64921363
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cnc(Cl)nc2)C1C
InChIInChI=1S/C12H18ClN3O2S/c1-3-9-4-5-11(8(9)2)16-19(17,18)10-6-14-12(13)15-7-10/h6-9,11,16H,3-5H2,1-2H3
InChIKeyZIWCICGWJXUUHE-UHFFFAOYSA-N
XLogP2.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
N-(3-ethyl-2-methylcyclopentyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306293
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 61053689
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide (CID 64921363) is 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide is CCC1CCC(NS(=O)(=O)c2cnc(Cl)nc2)C1C.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide?
The InChIKey is ZIWCICGWJXUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-3-9-4-5-11(8(9)2)16-19(17,18)10-6-14-12(13)15-7-10/h6-9,11,16H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide?
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).