N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

C14H12F3NO2S — CID 710722

IUPACN-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-2-8-13(9-3-10)21(19,20)18(14(16)17)12-6-4-11(15)5-7-12/h2-9,14H,1H3
InChIKeyHZVMSTXDNSXVCQ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.55
Rot. Bonds4

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

N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 710722) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID710722
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c1-10-2-8-13(9-3-10)21(19,20)18(14(16)17)12-6-4-11(15)5-7-12/h2-9,14H,1H3
InChIKeyHZVMSTXDNSXVCQ-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (CID 710722) is N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is HZVMSTXDNSXVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-10-2-8-13(9-3-10)21(19,20)18(14(16)17)12-6-4-11(15)5-7-12/h2-9,14H,1H3.
What are the key properties of N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 710722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).