[4-(difluoromethyl)phenyl]sulfonylurea

C8H8F2N2O3S — CID 172769356

IUPAC[4-(difluoromethyl)phenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2N2O3S/c9-7(10)5-1-3-6(4-2-5)16(14,15)12-8(11)13/h1-4,7H,(H3,11,12,13)
InChIKeyMSZHRBSWCLGMRJ-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.98
Rot. Bonds3

About [4-(difluoromethyl)phenyl]sulfonylurea

[4-(difluoromethyl)phenyl]sulfonylurea (PubChem CID 172769356) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]sulfonylurea
PubChem CID172769356
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC Name[4-(difluoromethyl)phenyl]sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2N2O3S/c9-7(10)5-1-3-6(4-2-5)16(14,15)12-8(11)13/h1-4,7H,(H3,11,12,13)
InChIKeyMSZHRBSWCLGMRJ-UHFFFAOYSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(difluoromethyl)phenyl]sulfonylurea 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

(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid
CID 12832567
(2S)-2-[[4-(difluoromethyl)phenyl]sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 167790252
[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
3-[4-(carbamoylsulfamoyl)phenyl]-4-fluorobenzoic acid
CID 110453957
pyrimidin-5-ylsulfonylurea
CID 19091292
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
(3-methylphenyl)sulfonylurea
CID 46224904
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
CID 53497721
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]sulfonylurea?
The IUPAC name of [4-(difluoromethyl)phenyl]sulfonylurea (CID 172769356) is [4-(difluoromethyl)phenyl]sulfonylurea.
What is the SMILES notation for [4-(difluoromethyl)phenyl]sulfonylurea?
The canonical SMILES for [4-(difluoromethyl)phenyl]sulfonylurea is NC(=O)NS(=O)(=O)c1ccc(C(F)F)cc1.
What is the InChIKey of [4-(difluoromethyl)phenyl]sulfonylurea?
The InChIKey is MSZHRBSWCLGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c9-7(10)5-1-3-6(4-2-5)16(14,15)12-8(11)13/h1-4,7H,(H3,11,12,13).
What are the key properties of [4-(difluoromethyl)phenyl]sulfonylurea?
[4-(difluoromethyl)phenyl]sulfonylurea has a molecular weight of 250.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]sulfonylurea is sourced from PubChem (CID 172769356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).