N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C12H12ClFN4O2S — CID 62144758

IUPACN-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClFN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-8-3-4-11(14)10(13)5-8/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyFOQOCCMMHQLCHC-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.50
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62144758) has the molecular formula C12H12ClFN4O2S and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62144758
Molecular FormulaC12H12ClFN4O2S
Molecular Weight330.77 g/mol
Exact Mass330.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClFN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-8-3-4-11(14)10(13)5-8/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyFOQOCCMMHQLCHC-UHFFFAOYSA-N
XLogP2.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 103481345
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62144758) is N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is FOQOCCMMHQLCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-8-3-4-11(14)10(13)5-8/h3-7,18H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).