2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide

C12H9F3N2O4S2 — CID 26951370

IUPAC2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C12H9F3N2O4S2/c13-9-5-6-10(12(15)11(9)14)23(20,21)17-7-1-3-8(4-2-7)22(16,18)19/h1-6,17H,(H2,16,18,19)
InChIKeyJAVKTBGRCNVOQN-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.55
Rot. Bonds4

About 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide

2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 26951370) has the molecular formula C12H9F3N2O4S2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID26951370
Molecular FormulaC12H9F3N2O4S2
Molecular Weight366.34 g/mol
Exact Mass366.00
IUPAC Name2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C12H9F3N2O4S2/c13-9-5-6-10(12(15)11(9)14)23(20,21)17-7-1-3-8(4-2-7)22(16,18)19/h1-6,17H,(H2,16,18,19)
InChIKeyJAVKTBGRCNVOQN-UHFFFAOYSA-N
XLogP1.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 24602915
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3,4-trifluorobenzenesulfonamide
CID 55729419
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
4-fluoro-N-[4-(2,3,4-trifluoroanilino)phenyl]benzenesulfonamide
CID 112990183
3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 139292939

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 26951370) is 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is JAVKTBGRCNVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4S2/c13-9-5-6-10(12(15)11(9)14)23(20,21)17-7-1-3-8(4-2-7)22(16,18)19/h1-6,17H,(H2,16,18,19).
What are the key properties of 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 366.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 26951370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).