N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide

C12H16FN5O2S — CID 155201268

IUPACN-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2F)c(N)c1CN
InChIInChI=1S/C12H16FN5O2S/c1-7-3-4-9(11(15)8(7)5-14)17-21(19,20)10-6-18(2)16-12(10)13/h3-4,6,17H,5,14-15H2,1-2H3
InChIKeyQLPNFDPHTQKQBU-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.71
Rot. Bonds4

About N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide

N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide (PubChem CID 155201268) has the molecular formula C12H16FN5O2S and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide
PubChem CID155201268
Molecular FormulaC12H16FN5O2S
Molecular Weight313.36 g/mol
Exact Mass313.10
IUPAC NameN-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2F)c(N)c1CN
InChIInChI=1S/C12H16FN5O2S/c1-7-3-4-9(11(15)8(7)5-14)17-21(19,20)10-6-18(2)16-12(10)13/h3-4,6,17H,5,14-15H2,1-2H3
InChIKeyQLPNFDPHTQKQBU-UHFFFAOYSA-N
XLogP0.71
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-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

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
US11787780, Example 1
CID 167337364
N-(3,4-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914795
1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 6465338
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71895738

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide (CID 155201268) is N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C)nc2F)c(N)c1CN.
What is the InChIKey of N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide?
The InChIKey is QLPNFDPHTQKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O2S/c1-7-3-4-9(11(15)8(7)5-14)17-21(19,20)10-6-18(2)16-12(10)13/h3-4,6,17H,5,14-15H2,1-2H3.
What are the key properties of N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide?
N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide has a molecular weight of 313.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 155201268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).