N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide

C17H15ClFN3O2S — CID 19577802

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-12-5-7-13(8-6-12)25(23,24)21-17-9-10-22(20-17)11-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyJHRDUHLSBRMAAL-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.83
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 19577802) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID19577802
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-12-5-7-13(8-6-12)25(23,24)21-17-9-10-22(20-17)11-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyJHRDUHLSBRMAAL-UHFFFAOYSA-N
XLogP3.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.83
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-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide (CID 19577802) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is JHRDUHLSBRMAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-12-5-7-13(8-6-12)25(23,24)21-17-9-10-22(20-17)11-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 19577802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).