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

C18H16ClF2N3O2S — CID 67646060

IUPACN-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(F)F
InChIInChI=1S/C18H16ClF2N3O2S/c1-2-24-16(17(20)21)15(12-8-10-13(19)11-9-12)18(22-24)23-27(25,26)14-6-4-3-5-7-14/h3-11,17H,2H2,1H3,(H,22,23)
InChIKeyNXXZUCYNAVSFLC-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.96
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67646060) has the molecular formula C18H16ClF2N3O2S and a molecular weight of 411.86 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide
PubChem CID67646060
Molecular FormulaC18H16ClF2N3O2S
Molecular Weight411.86 g/mol
Exact Mass411.06
IUPAC NameN-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(F)F
InChIInChI=1S/C18H16ClF2N3O2S/c1-2-24-16(17(20)21)15(12-8-10-13(19)11-9-12)18(22-24)23-27(25,26)14-6-4-3-5-7-14/h3-11,17H,2H2,1H3,(H,22,23)
InChIKeyNXXZUCYNAVSFLC-UHFFFAOYSA-N
XLogP4.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide (CID 67646060) is N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(F)F.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is NXXZUCYNAVSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2S/c1-2-24-16(17(20)21)15(12-8-10-13(19)11-9-12)18(22-24)23-27(25,26)14-6-4-3-5-7-14/h3-11,17H,2H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide?
N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 411.86 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).