5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide

C11H12ClFN4O2S — CID 43543213

IUPAC5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1
InChIInChI=1S/C11H12ClFN4O2S/c1-2-17-6-8(5-15-17)16-20(18,19)10-4-7(14)3-9(12)11(10)13/h3-6,16H,2,14H2,1H3
InChIKeyJQLOSMAWTVPFFA-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.08
Rot. Bonds4

About 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 43543213) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
PubChem CID43543213
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1
InChIInChI=1S/C11H12ClFN4O2S/c1-2-17-6-8(5-15-17)16-20(18,19)10-4-7(14)3-9(12)11(10)13/h3-6,16H,2,14H2,1H3
InChIKeyJQLOSMAWTVPFFA-UHFFFAOYSA-N
XLogP2.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide (CID 43543213) is 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1.
What is the InChIKey of 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is JQLOSMAWTVPFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-2-17-6-8(5-15-17)16-20(18,19)10-4-7(14)3-9(12)11(10)13/h3-6,16H,2,14H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43543213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).