2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide

C10H8BrClN4O2S — CID 107616514

IUPAC2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C10H8BrClN4O2S/c11-8-2-1-6(3-9(8)12)16-19(17,18)7-4-14-10(13)15-5-7/h1-5,16H,(H2,13,14,15)
InChIKeyLIYFEWWRINJBMN-UHFFFAOYSA-N
MW363.62 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide

2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide (PubChem CID 107616514) has the molecular formula C10H8BrClN4O2S and a molecular weight of 363.62 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
PubChem CID107616514
Molecular FormulaC10H8BrClN4O2S
Molecular Weight363.62 g/mol
Exact Mass361.92
IUPAC Name2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C10H8BrClN4O2S/c11-8-2-1-6(3-9(8)12)16-19(17,18)7-4-14-10(13)15-5-7/h1-5,16H,(H2,13,14,15)
InChIKeyLIYFEWWRINJBMN-UHFFFAOYSA-N
XLogP2.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.62
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
2-amino-N-phenylpyrimidine-5-sulfonamide
CID 46360874
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
CID 62142790
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide (CID 107616514) is 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide?
The InChIKey is LIYFEWWRINJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O2S/c11-8-2-1-6(3-9(8)12)16-19(17,18)7-4-14-10(13)15-5-7/h1-5,16H,(H2,13,14,15).
What are the key properties of 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide?
2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide has a molecular weight of 363.62 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 107616514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).