2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C16H11Cl4N3O2S — CID 22206532

IUPAC2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl4N3O2S/c17-11-2-1-10(14(20)7-11)9-23-6-5-16(21-23)22-26(24,25)15-8-12(18)3-4-13(15)19/h1-8H,9H2,(H,21,22)
InChIKeySCUJOTXZXOBEAU-UHFFFAOYSA-N
MW451.16 g/mol
LogP5.35
Rot. Bonds5

About 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22206532) has the molecular formula C16H11Cl4N3O2S and a molecular weight of 451.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22206532
Molecular FormulaC16H11Cl4N3O2S
Molecular Weight451.16 g/mol
Exact Mass448.93
IUPAC Name2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl4N3O2S/c17-11-2-1-10(14(20)7-11)9-23-6-5-16(21-23)22-26(24,25)15-8-12(18)3-4-13(15)19/h1-8H,9H2,(H,21,22)
InChIKeySCUJOTXZXOBEAU-UHFFFAOYSA-N
XLogP5.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.16
LogP ≤ 55.35
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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22206532) is 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is SCUJOTXZXOBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4N3O2S/c17-11-2-1-10(14(20)7-11)9-23-6-5-16(21-23)22-26(24,25)15-8-12(18)3-4-13(15)19/h1-8H,9H2,(H,21,22).
What are the key properties of 2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 451.16 g/mol, XLogP of 5.35, 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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22206532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).