N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H11BrF2N4O2S — CID 106087034

IUPACN-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N4O2S/c1-15-4-6-5-16-17-11(6)21(19,20)18-10-2-7(12)8(13)3-9(10)14/h2-3,5,15,18H,4H2,1H3,(H,16,17)
InChIKeyISSRKMKLAITVDH-UHFFFAOYSA-N
MW381.20 g/mol
LogP1.97
Rot. Bonds5

About N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106087034) has the molecular formula C11H11BrF2N4O2S and a molecular weight of 381.20 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106087034
Molecular FormulaC11H11BrF2N4O2S
Molecular Weight381.20 g/mol
Exact Mass379.98
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N4O2S/c1-15-4-6-5-16-17-11(6)21(19,20)18-10-2-7(12)8(13)3-9(10)14/h2-3,5,15,18H,4H2,1H3,(H,16,17)
InChIKeyISSRKMKLAITVDH-UHFFFAOYSA-N
XLogP1.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
N-(3-fluoro-4-pyridinyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090077
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 102852558
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
N-(5-bromo-2-methoxyphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106052104
N-(4-bromo-2-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058502
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
N-(2-bromo-6-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089680
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106087034) is N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ISSRKMKLAITVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O2S/c1-15-4-6-5-16-17-11(6)21(19,20)18-10-2-7(12)8(13)3-9(10)14/h2-3,5,15,18H,4H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 381.20 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).