4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H15FN2O4S2 — CID 5157031

IUPAC4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H15FN2O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyKRMNFEOPOVPHRF-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.99
Rot. Bonds6

About 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 5157031) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID5157031
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H15FN2O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyKRMNFEOPOVPHRF-UHFFFAOYSA-N
XLogP0.99
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]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

Mafenide
CID 3998
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
p-Toluenesulfonamide, N-benzyl-
CID 95801
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
Benzenesulfonamide, N-benzyl-
CID 95236
N,N'-Di-p-tosyl-1,3-diaminopropane
CID 3731938
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride
CID 186136
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811
4-(Benzenesulfonamidomethyl)benzene-1-sulfonamide
CID 724642

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 5157031) is 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is KRMNFEOPOVPHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19).
What are the key properties of 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 5157031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).