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

C12H12BrClN4O2S — CID 103481345

IUPACN-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C12H12BrClN4O2S/c1-2-15-12-16-6-8(7-17-12)21(19,20)18-10-5-3-4-9(14)11(10)13/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyISQINXRNHNVRQF-UHFFFAOYSA-N
MW391.68 g/mol
LogP3.13
Rot. Bonds5

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

N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 103481345) has the molecular formula C12H12BrClN4O2S and a molecular weight of 391.68 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID103481345
Molecular FormulaC12H12BrClN4O2S
Molecular Weight391.68 g/mol
Exact Mass389.96
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C12H12BrClN4O2S/c1-2-15-12-16-6-8(7-17-12)21(19,20)18-10-5-3-4-9(14)11(10)13/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyISQINXRNHNVRQF-UHFFFAOYSA-N
XLogP3.13
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
N-(2,3-dichlorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62149087
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
N-(2,3-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329103
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 103481345) is N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2cccc(Cl)c2Br)cn1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is ISQINXRNHNVRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2S/c1-2-15-12-16-6-8(7-17-12)21(19,20)18-10-5-3-4-9(14)11(10)13/h3-7,18H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 391.68 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 103481345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).