N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C12H13ClN4O2S — CID 62144333

IUPACN-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-2-14-12-15-7-11(8-16-12)20(18,19)17-10-5-3-4-9(13)6-10/h3-8,17H,2H2,1H3,(H,14,15,16)
InChIKeyDHHLERUUCDHAFZ-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.36
Rot. Bonds5

About N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62144333) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62144333
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-2-14-12-15-7-11(8-16-12)20(18,19)17-10-5-3-4-9(13)6-10/h3-8,17H,2H2,1H3,(H,14,15,16)
InChIKeyDHHLERUUCDHAFZ-UHFFFAOYSA-N
XLogP2.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 103481345
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62142994

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62144333) is N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is DHHLERUUCDHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-2-14-12-15-7-11(8-16-12)20(18,19)17-10-5-3-4-9(13)6-10/h3-8,17H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).