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

C11H12BrClN4O2S — CID 106056684

IUPACN-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16)
InChIKeyPVUVDOHNPOQFMI-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.35
Rot. Bonds5

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

N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106056684) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106056684
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC NameN-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16)
InChIKeyPVUVDOHNPOQFMI-UHFFFAOYSA-N
XLogP2.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106052104
N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
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-(3-fluoro-4-pyridinyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090077
N-(4-bromo-2-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058502
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106056684) is N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PVUVDOHNPOQFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.35, 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-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106056684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).