N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide

C11H12BrN5O2S — CID 61413923

IUPACN-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN5O2S/c12-10-4-2-1-3-8(10)5-16-20(18,19)9-6-14-11(17-13)15-7-9/h1-4,6-7,16H,5,13H2,(H,14,15,17)
InChIKeyPSKXBHXPKGREMS-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.00
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 61413923) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID61413923
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN5O2S/c12-10-4-2-1-3-8(10)5-16-20(18,19)9-6-14-11(17-13)15-7-9/h1-4,6-7,16H,5,13H2,(H,14,15,17)
InChIKeyPSKXBHXPKGREMS-UHFFFAOYSA-N
XLogP1.00
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61413878
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide (CID 61413923) is N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)NCc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is PSKXBHXPKGREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c12-10-4-2-1-3-8(10)5-16-20(18,19)9-6-14-11(17-13)15-7-9/h1-4,6-7,16H,5,13H2,(H,14,15,17).
What are the key properties of N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide?
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61413923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).