N-(difluoromethoxy)benzenesulfonamide

C7H7F2NO3S — CID 154499531

IUPACN-(difluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NOC(F)F)c1ccccc1
InChIInChI=1S/C7H7F2NO3S/c8-7(9)13-10-14(11,12)6-4-2-1-3-5-6/h1-5,7,10H
InChIKeyYWCVTQGBZFWZAX-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.12
Rot. Bonds4

About N-(difluoromethoxy)benzenesulfonamide

N-(difluoromethoxy)benzenesulfonamide (PubChem CID 154499531) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethoxy)benzenesulfonamide
PubChem CID154499531
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC NameN-(difluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NOC(F)F)c1ccccc1
InChIInChI=1S/C7H7F2NO3S/c8-7(9)13-10-14(11,12)6-4-2-1-3-5-6/h1-5,7,10H
InChIKeyYWCVTQGBZFWZAX-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(difluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-sulfanyloxybenzenesulfonamide
CID 173416385
4-phenyl-N-propan-2-yloxybenzenesulfonamide
CID 59272998
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 140931341
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-(2-chloroethoxy)benzenesulfonamide
CID 70360166
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
CID 88793655
CID 88793655
benzenesulfonamide;propan-2-ol;N-(trifluoromethoxy)benzenesulfonamide
CID 160752495
N-[4-(difluoromethoxy)-3-fluorophenyl]benzenesulfonamide
CID 60534485
benzenesulfonohydrazide;hydrate
CID 21414143

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(difluoromethoxy)benzenesulfonamide (CID 154499531) is N-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(difluoromethoxy)benzenesulfonamide is O=S(=O)(NOC(F)F)c1ccccc1.
What is the InChIKey of N-(difluoromethoxy)benzenesulfonamide?
The InChIKey is YWCVTQGBZFWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c8-7(9)13-10-14(11,12)6-4-2-1-3-5-6/h1-5,7,10H.
What are the key properties of N-(difluoromethoxy)benzenesulfonamide?
N-(difluoromethoxy)benzenesulfonamide has a molecular weight of 223.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 154499531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).