N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C19H19F2N3O2S — CID 67645460

IUPACN-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C(F)F
InChIInChI=1S/C19H19F2N3O2S/c1-3-24-17(18(20)21)16(14-11-9-13(2)10-12-14)19(22-24)23-27(25,26)15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3,(H,22,23)
InChIKeyMBPRLPJUPVWMSC-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.62
Rot. Bonds6

About N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645460) has the molecular formula C19H19F2N3O2S and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645460
Molecular FormulaC19H19F2N3O2S
Molecular Weight391.44 g/mol
Exact Mass391.12
IUPAC NameN-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C(F)F
InChIInChI=1S/C19H19F2N3O2S/c1-3-24-17(18(20)21)16(14-11-9-13(2)10-12-14)19(22-24)23-27(25,26)15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3,(H,22,23)
InChIKeyMBPRLPJUPVWMSC-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645460) is N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is MBPRLPJUPVWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S/c1-3-24-17(18(20)21)16(14-11-9-13(2)10-12-14)19(22-24)23-27(25,26)15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 391.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-ethyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).