4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide

C12H14ClFN4O2S — CID 106055543

IUPAC4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1CN
InChIInChI=1S/C12H14ClFN4O2S/c1-7-9(5-15)12(18-17-7)21(19,20)16-6-8-2-3-11(14)10(13)4-8/h2-4,16H,5-6,15H2,1H3,(H,17,18)
InChIKeySOFZCMIBENXJDB-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.45
Rot. Bonds5

About 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106055543) has the molecular formula C12H14ClFN4O2S and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106055543
Molecular FormulaC12H14ClFN4O2S
Molecular Weight332.79 g/mol
Exact Mass332.05
IUPAC Name4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1CN
InChIInChI=1S/C12H14ClFN4O2S/c1-7-9(5-15)12(18-17-7)21(19,20)16-6-8-2-3-11(14)10(13)4-8/h2-4,16H,5-6,15H2,1H3,(H,17,18)
InChIKeySOFZCMIBENXJDB-UHFFFAOYSA-N
XLogP1.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-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-[(2,5-difluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106065157
N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62533973
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528
5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62537243
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106057369
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid
CID 62538911
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide (CID 106055543) is 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is SOFZCMIBENXJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O2S/c1-7-9(5-15)12(18-17-7)21(19,20)16-6-8-2-3-11(14)10(13)4-8/h2-4,16H,5-6,15H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 332.79 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106055543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).