2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide

C16H11Cl3FN3O2S — CID 4769662

IUPAC2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3FN3O2S/c17-11-2-4-14(18)16(5-11)26(24,25)22-13-7-21-23(9-13)8-10-1-3-12(20)6-15(10)19/h1-7,9,22H,8H2
InChIKeyJFWCNZWVZGOVQA-UHFFFAOYSA-N
MW434.71 g/mol
LogP4.83
Rot. Bonds5

About 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide

2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 4769662) 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-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID4769662
Molecular FormulaC16H11Cl3FN3O2S
Molecular Weight434.71 g/mol
Exact Mass432.96
IUPAC Name2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3FN3O2S/c17-11-2-4-14(18)16(5-11)26(24,25)22-13-7-21-23(9-13)8-10-1-3-12(20)6-15(10)19/h1-7,9,22H,8H2
InChIKeyJFWCNZWVZGOVQA-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-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 4769662) is 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is JFWCNZWVZGOVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FN3O2S/c17-11-2-4-14(18)16(5-11)26(24,25)22-13-7-21-23(9-13)8-10-1-3-12(20)6-15(10)19/h1-7,9,22H,8H2.
What are the key properties of 2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-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-4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4769662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).