N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C17H15F2N3O2S — CID 50792318

IUPACN-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1
InChIInChI=1S/C17H15F2N3O2S/c1-10-3-4-12(16-7-11(2)20-21-16)8-17(10)25(23,24)22-13-5-6-14(18)15(19)9-13/h3-9,22H,1-2H3,(H,20,21)
InChIKeyFRWBPLVFCHHNDO-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.77
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 50792318) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID50792318
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1
InChIInChI=1S/C17H15F2N3O2S/c1-10-3-4-12(16-7-11(2)20-21-16)8-17(10)25(23,24)22-13-5-6-14(18)15(19)9-13/h3-9,22H,1-2H3,(H,20,21)
InChIKeyFRWBPLVFCHHNDO-UHFFFAOYSA-N
XLogP3.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 50792318) is N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is FRWBPLVFCHHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-10-3-4-12(16-7-11(2)20-21-16)8-17(10)25(23,24)22-13-5-6-14(18)15(19)9-13/h3-9,22H,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 50792318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).