N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide

C10H8BrF2N5O2S — CID 102854113

IUPACN-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1
InChIInChI=1S/C10H8BrF2N5O2S/c11-6-1-9(8(13)2-7(6)12)18-21(19,20)5-3-15-10(17-14)16-4-5/h1-4,18H,14H2,(H,15,16,17)
InChIKeyYPZUHDVBELASJF-UHFFFAOYSA-N
MW380.17 g/mol
LogP1.60
Rot. Bonds4

About N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 102854113) has the molecular formula C10H8BrF2N5O2S and a molecular weight of 380.17 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID102854113
Molecular FormulaC10H8BrF2N5O2S
Molecular Weight380.17 g/mol
Exact Mass378.96
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1
InChIInChI=1S/C10H8BrF2N5O2S/c11-6-1-9(8(13)2-7(6)12)18-21(19,20)5-3-15-10(17-14)16-4-5/h1-4,18H,14H2,(H,15,16,17)
InChIKeyYPZUHDVBELASJF-UHFFFAOYSA-N
XLogP1.60
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328919
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
N-(2,4-dibromophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61477635
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
CID 102855195
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102854641
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 102854113) is N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is YPZUHDVBELASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N5O2S/c11-6-1-9(8(13)2-7(6)12)18-21(19,20)5-3-15-10(17-14)16-4-5/h1-4,18H,14H2,(H,15,16,17).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 380.17 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 102854113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).