N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide

C20H15ClFN3O2S — CID 4770493

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15ClFN3O2S/c21-18-6-3-7-19(22)17(18)13-25-11-10-20(23-25)24-28(26,27)16-9-8-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,23,24)
InChIKeyHFCXUKIVEXFCRD-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.68
Rot. Bonds5

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide (PubChem CID 4770493) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
PubChem CID4770493
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15ClFN3O2S/c21-18-6-3-7-19(22)17(18)13-25-11-10-20(23-25)24-28(26,27)16-9-8-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,23,24)
InChIKeyHFCXUKIVEXFCRD-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.68
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]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide (CID 4770493) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
The InChIKey is HFCXUKIVEXFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c21-18-6-3-7-19(22)17(18)13-25-11-10-20(23-25)24-28(26,27)16-9-8-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,23,24).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide has a molecular weight of 415.88 g/mol, XLogP of 4.68, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 4770493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).