2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C16H11Cl3FN3O2S — CID 17026907

IUPAC2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3FN3O2S/c17-10-4-5-13(19)15(8-10)26(24,25)22-16-6-7-23(21-16)9-11-12(18)2-1-3-14(11)20/h1-8H,9H2,(H,21,22)
InChIKeyBXVDRSYUZPDXEL-UHFFFAOYSA-N
MW434.71 g/mol
LogP4.83
Rot. Bonds5

About 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 17026907) has the molecular formula C16H11Cl3FN3O2S and a molecular weight of 434.71 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID17026907
Molecular FormulaC16H11Cl3FN3O2S
Molecular Weight434.71 g/mol
Exact Mass432.96
IUPAC Name2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3FN3O2S/c17-10-4-5-13(19)15(8-10)26(24,25)22-16-6-7-23(21-16)9-11-12(18)2-1-3-14(11)20/h1-8H,9H2,(H,21,22)
InChIKeyBXVDRSYUZPDXEL-UHFFFAOYSA-N
XLogP4.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.71
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 17026907) is 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is BXVDRSYUZPDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FN3O2S/c17-10-4-5-13(19)15(8-10)26(24,25)22-16-6-7-23(21-16)9-11-12(18)2-1-3-14(11)20/h1-8H,9H2,(H,21,22).
What are the key properties of 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 434.71 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 17026907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).