N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

C12H13BrN4O2S — CID 62157229

IUPACN-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN4O2S/c1-14-12-15-7-10(8-16-12)20(18,19)17-6-9-4-2-3-5-11(9)13/h2-5,7-8,17H,6H2,1H3,(H,14,15,16)
InChIKeyXMJDSXGJVFSWFK-UHFFFAOYSA-N
MW357.23 g/mol
LogP1.76
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62157229) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62157229
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C12H13BrN4O2S/c1-14-12-15-7-10(8-16-12)20(18,19)17-6-9-4-2-3-5-11(9)13/h2-5,7-8,17H,6H2,1H3,(H,14,15,16)
InChIKeyXMJDSXGJVFSWFK-UHFFFAOYSA-N
XLogP1.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158054

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62157229) is N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is XMJDSXGJVFSWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-14-12-15-7-10(8-16-12)20(18,19)17-6-9-4-2-3-5-11(9)13/h2-5,7-8,17H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62157229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).