4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide

C22H16ClF2N3O2S — CID 19041383

IUPAC4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)c(C(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClF2N3O2S/c23-16-10-6-14(7-11-16)19-20(22(24)25)27-28(17-4-2-1-3-5-17)21(19)15-8-12-18(13-9-15)31(26,29)30/h1-13,22H,(H2,26,29,30)
InChIKeyDKCOOECWGRIGPK-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.44
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide (PubChem CID 19041383) has the molecular formula C22H16ClF2N3O2S and a molecular weight of 459.91 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
PubChem CID19041383
Molecular FormulaC22H16ClF2N3O2S
Molecular Weight459.91 g/mol
Exact Mass459.06
IUPAC Name4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)c(C(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClF2N3O2S/c23-16-10-6-14(7-11-16)19-20(22(24)25)27-28(17-4-2-1-3-5-17)21(19)15-8-12-18(13-9-15)31(26,29)30/h1-13,22H,(H2,26,29,30)
InChIKeyDKCOOECWGRIGPK-UHFFFAOYSA-N
XLogP5.44
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide (CID 19041383) is 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)c(C(F)F)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is DKCOOECWGRIGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O2S/c23-16-10-6-14(7-11-16)19-20(22(24)25)27-28(17-4-2-1-3-5-17)21(19)15-8-12-18(13-9-15)31(26,29)30/h1-13,22H,(H2,26,29,30).
What are the key properties of 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 459.91 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).