N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C18H18FN3O2S — CID 50792316

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c2)n[nH]1
InChIInChI=1S/C18H18FN3O2S/c1-11-5-7-15(10-16(11)19)22-25(23,24)18-9-14(6-4-12(18)2)17-8-13(3)20-21-17/h4-10,22H,1-3H3,(H,20,21)
InChIKeyIKBCCVKYOGMKCC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.94
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 50792316) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID50792316
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c2)n[nH]1
InChIInChI=1S/C18H18FN3O2S/c1-11-5-7-15(10-16(11)19)22-25(23,24)18-9-14(6-4-12(18)2)17-8-13(3)20-21-17/h4-10,22H,1-3H3,(H,20,21)
InChIKeyIKBCCVKYOGMKCC-UHFFFAOYSA-N
XLogP3.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 50792316) is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c2)n[nH]1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is IKBCCVKYOGMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-5-7-15(10-16(11)19)22-25(23,24)18-9-14(6-4-12(18)2)17-8-13(3)20-21-17/h4-10,22H,1-3H3,(H,20,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 50792316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).