3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H12ClFN4O2S — CID 103051544

IUPAC3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H12ClFN4O2S/c1-17(6-7-4-15-16-5-7)20(18,19)10-3-8(12)2-9(14)11(10)13/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyAJARKJJGCQZZHT-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 103051544) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID103051544
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H12ClFN4O2S/c1-17(6-7-4-15-16-5-7)20(18,19)10-3-8(12)2-9(14)11(10)13/h2-5H,6,14H2,1H3,(H,15,16)
InChIKeyAJARKJJGCQZZHT-UHFFFAOYSA-N
XLogP1.61
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534673
5-amino-3-chloro-2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539731
5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 43543213
5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 43547052
N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 47363935
3-chloro-2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896343
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896390
N-(5-chloro-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929547
N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54929649
N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929680
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54929695
N-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54929739

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 103051544) is 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is CN(Cc1cn[nH]c1)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is AJARKJJGCQZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-17(6-7-4-15-16-5-7)20(18,19)10-3-8(12)2-9(14)11(10)13/h2-5H,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103051544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).