N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide

C11H13BrN4O2S — CID 61273698

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCN(C)c1ccc(Br)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H13BrN4O2S/c1-16(2)11-4-3-8(12)5-10(11)15-19(17,18)9-6-13-14-7-9/h3-7,15H,1-2H3,(H,13,14)
InChIKeyXKLAWWVJXANPOB-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.04
Rot. Bonds4

About N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide

N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61273698) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61273698
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCN(C)c1ccc(Br)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H13BrN4O2S/c1-16(2)11-4-3-8(12)5-10(11)15-19(17,18)9-6-13-14-7-9/h3-7,15H,1-2H3,(H,13,14)
InChIKeyXKLAWWVJXANPOB-UHFFFAOYSA-N
XLogP2.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
CID 61053133
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62998550
N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 113231021
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
CID 60651582
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
CID 61276279
N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267972

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide (CID 61273698) is N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide is CN(C)c1ccc(Br)cc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XKLAWWVJXANPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-16(2)11-4-3-8(12)5-10(11)15-19(17,18)9-6-13-14-7-9/h3-7,15H,1-2H3,(H,13,14).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61273698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).