N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C13H15BrN4O2S — CID 62146677

IUPACN-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2C)cn1
InChIInChI=1S/C13H15BrN4O2S/c1-3-15-13-16-7-11(8-17-13)21(19,20)18-12-6-10(14)5-4-9(12)2/h4-8,18H,3H2,1-2H3,(H,15,16,17)
InChIKeyYQLYARBAODUGHU-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.78
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62146677) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62146677
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC NameN-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2C)cn1
InChIInChI=1S/C13H15BrN4O2S/c1-3-15-13-16-7-11(8-17-13)21(19,20)18-12-6-10(14)5-4-9(12)2/h4-8,18H,3H2,1-2H3,(H,15,16,17)
InChIKeyYQLYARBAODUGHU-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 103481345
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62142994
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62146677) is N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2cc(Br)ccc2C)cn1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is YQLYARBAODUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-3-15-13-16-7-11(8-17-13)21(19,20)18-12-6-10(14)5-4-9(12)2/h4-8,18H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62146677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).