5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide

C11H12ClFN4O2S — CID 43547052

IUPAC5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H12ClFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)9-4-7(14)3-8(12)10(9)13/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyLZFGCKKHHCFJKD-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.20
Rot. Bonds3

About 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 43547052) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide
PubChem CID43547052
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H12ClFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)9-4-7(14)3-8(12)10(9)13/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyLZFGCKKHHCFJKD-UHFFFAOYSA-N
XLogP2.20
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide (CID 43547052) is 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is LZFGCKKHHCFJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)9-4-7(14)3-8(12)10(9)13/h3-4,17H,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43547052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).