N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

C13H17BrN4O2S — CID 106089323

IUPACN-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-12-5-9(2)4-11(14)6-12/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyHKBIZQUCCIJTKJ-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.39
Rot. Bonds6

About N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106089323) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106089323
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC NameN-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-12-5-9(2)4-11(14)6-12/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17)
InChIKeyHKBIZQUCCIJTKJ-UHFFFAOYSA-N
XLogP2.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-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

4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
N-(4-bromo-2-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058502
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
4-(ethylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 106082919
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106018754
N-(2-bromo-6-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089680
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106089323) is N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HKBIZQUCCIJTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-3-15-7-10-8-16-17-13(10)21(19,20)18-12-5-9(2)4-11(14)6-12/h4-6,8,15,18H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 373.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106089323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).