N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide

C15H13F3N2O4S2 — CID 24602915

IUPACN-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O4S2/c16-12-7-8-13(15(18)14(12)17)26(23,24)20-10-3-5-11(6-4-10)25(21,22)19-9-1-2-9/h3-9,19-20H,1-2H2
InChIKeyHLMAPNOZUNDSKP-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide

N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 24602915) has the molecular formula C15H13F3N2O4S2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID24602915
Molecular FormulaC15H13F3N2O4S2
Molecular Weight406.41 g/mol
Exact Mass406.03
IUPAC NameN-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3N2O4S2/c16-12-7-8-13(15(18)14(12)17)26(23,24)20-10-3-5-11(6-4-10)25(21,22)19-9-1-2-9/h3-9,19-20H,1-2H2
InChIKeyHLMAPNOZUNDSKP-UHFFFAOYSA-N
XLogP2.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.35
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

2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide (CID 24602915) is N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is HLMAPNOZUNDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S2/c16-12-7-8-13(15(18)14(12)17)26(23,24)20-10-3-5-11(6-4-10)25(21,22)19-9-1-2-9/h3-9,19-20H,1-2H2.
What are the key properties of N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 406.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 24602915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).