N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide

C10H9ClFN3O2S — CID 102692953

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccn[nH]1
InChIInChI=1S/C10H9ClFN3O2S/c11-8-5-7(1-2-9(8)12)6-14-18(16,17)10-3-4-13-15-10/h1-5,14H,6H2,(H,13,15)
InChIKeyIGYWUABEDWNBRR-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.68
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692953) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692953
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccn[nH]1
InChIInChI=1S/C10H9ClFN3O2S/c11-8-5-7(1-2-9(8)12)6-14-18(16,17)10-3-4-13-15-10/h1-5,14H,6H2,(H,13,15)
InChIKeyIGYWUABEDWNBRR-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692953) is N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccn[nH]1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is IGYWUABEDWNBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c11-8-5-7(1-2-9(8)12)6-14-18(16,17)10-3-4-13-15-10/h1-5,14H,6H2,(H,13,15).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).