N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

C11H11ClFN3O2S — CID 17022617

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H11ClFN3O2S/c1-19(17,18)15-11-4-5-16(14-11)7-8-2-3-9(13)6-10(8)12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDGINVEBNGYMAQM-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.10
Rot. Bonds4

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 17022617) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
PubChem CID17022617
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H11ClFN3O2S/c1-19(17,18)15-11-4-5-16(14-11)7-8-2-3-9(13)6-10(8)12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDGINVEBNGYMAQM-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (CID 17022617) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is DGINVEBNGYMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-19(17,18)15-11-4-5-16(14-11)7-8-2-3-9(13)6-10(8)12/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 17022617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).