2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

C13H17FN4O2S — CID 106015063

IUPAC2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C13H17FN4O2S/c1-9-11(7-16-18-9)8-17-21(19,20)13-5-10(6-15-2)3-4-12(13)14/h3-5,7,15,17H,6,8H2,1-2H3,(H,16,18)
InChIKeyGQQAHITWTNEEQC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.06
Rot. Bonds6

About 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106015063) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID106015063
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C13H17FN4O2S/c1-9-11(7-16-18-9)8-17-21(19,20)13-5-10(6-15-2)3-4-12(13)14/h3-5,7,15,17H,6,8H2,1-2H3,(H,16,18)
InChIKeyGQQAHITWTNEEQC-UHFFFAOYSA-N
XLogP1.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide 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

5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015383
2-(aminomethyl)-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015204
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
4-bromo-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107650037
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
N-(3,3-dimethylbutyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106085441
4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 61022973
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (CID 106015063) is 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is CNCc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2C)c1.
What is the InChIKey of 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is GQQAHITWTNEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-9-11(7-16-18-9)8-17-21(19,20)13-5-10(6-15-2)3-4-12(13)14/h3-5,7,15,17H,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106015063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).