4-(trifluoromethyl)benzene-1,3-disulfonamide

C7H7F3N2O4S2 — CID 154218249

IUPAC4-(trifluoromethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7F3N2O4S2/c8-7(9,10)5-2-1-4(17(11,13)14)3-6(5)18(12,15)16/h1-3H,(H2,11,13,14)(H2,12,15,16)
InChIKeyHQGTYYWTFKADMV-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.00
Rot. Bonds2

About 4-(trifluoromethyl)benzene-1,3-disulfonamide

4-(trifluoromethyl)benzene-1,3-disulfonamide (PubChem CID 154218249) has the molecular formula C7H7F3N2O4S2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-(trifluoromethyl)benzene-1,3-disulfonamide
PubChem CID154218249
Molecular FormulaC7H7F3N2O4S2
Molecular Weight304.27 g/mol
Exact Mass303.98
IUPAC Name4-(trifluoromethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7F3N2O4S2/c8-7(9,10)5-2-1-4(17(11,13)14)3-6(5)18(12,15)16/h1-3H,(H2,11,13,14)(H2,12,15,16)
InChIKeyHQGTYYWTFKADMV-UHFFFAOYSA-N
XLogP0.00
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(trifluoromethyl)benzene-1,3-disulfonamide 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-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
CID 154168483
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
3-[4-amino-2-(trifluoromethyl)phenyl]sulfonyl-4-methylbenzenesulfonamide
CID 70564158
2,4-disulfamoylbenzoic acid
CID 70122290
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
4-[2,3,4,5-tetrafluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451005
5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 54171274
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
CID 131297995

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)benzene-1,3-disulfonamide?
The IUPAC name of 4-(trifluoromethyl)benzene-1,3-disulfonamide (CID 154218249) is 4-(trifluoromethyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 4-(trifluoromethyl)benzene-1,3-disulfonamide?
The canonical SMILES for 4-(trifluoromethyl)benzene-1,3-disulfonamide is NS(=O)(=O)c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-(trifluoromethyl)benzene-1,3-disulfonamide?
The InChIKey is HQGTYYWTFKADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4S2/c8-7(9,10)5-2-1-4(17(11,13)14)3-6(5)18(12,15)16/h1-3H,(H2,11,13,14)(H2,12,15,16).
What are the key properties of 4-(trifluoromethyl)benzene-1,3-disulfonamide?
4-(trifluoromethyl)benzene-1,3-disulfonamide has a molecular weight of 304.27 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 154218249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).