N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C16H14BrN3O2S — CID 20914800

IUPACN-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-12-11-13(3-8-16(12)17)19-23(21,22)15-6-4-14(5-7-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyKLZWILFAVFQHTD-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.74
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914800) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914800
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC NameN-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-12-11-13(3-8-16(12)17)19-23(21,22)15-6-4-14(5-7-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyKLZWILFAVFQHTD-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122317343
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122284597
N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110731351
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914800) is N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is KLZWILFAVFQHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-12-11-13(3-8-16(12)17)19-23(21,22)15-6-4-14(5-7-15)20-10-2-9-18-20/h2-11,19H,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 392.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).