N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide

C14H13F2NO2S — CID 710711

IUPACN-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C(F)F)cc1
InChIInChI=1S/C14H13F2NO2S/c1-11-7-9-13(10-8-11)20(18,19)17(14(15)16)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyBTTPIMZDUCYVBL-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.41
Rot. Bonds4

About N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide

N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 710711) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID710711
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C(F)F)cc1
InChIInChI=1S/C14H13F2NO2S/c1-11-7-9-13(10-8-11)20(18,19)17(14(15)16)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeyBTTPIMZDUCYVBL-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.41
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)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide (CID 710711) is N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)C(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is BTTPIMZDUCYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-11-7-9-13(10-8-11)20(18,19)17(14(15)16)12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide?
N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 710711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).