N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C15H15F2NO3S — CID 800984

IUPACN-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(C(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15F2NO3S/c1-11-3-9-14(10-4-11)22(19,20)18(15(16)17)12-5-7-13(21-2)8-6-12/h3-10,15H,1-2H3
InChIKeyKRRMBMODUJFMEG-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.42
Rot. Bonds5

About N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 800984) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID800984
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(C(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15F2NO3S/c1-11-3-9-14(10-4-11)22(19,20)18(15(16)17)12-5-7-13(21-2)8-6-12/h3-10,15H,1-2H3
InChIKeyKRRMBMODUJFMEG-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 800984) is N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(C(F)F)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is KRRMBMODUJFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-11-3-9-14(10-4-11)22(19,20)18(15(16)17)12-5-7-13(21-2)8-6-12/h3-10,15H,1-2H3.
What are the key properties of N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 800984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).