N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

C16H19FN2O4S2 — CID 2442061

IUPACN,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O4S2/c1-3-19(4-2)25(22,23)16-11-7-14(8-12-16)18-24(20,21)15-9-5-13(17)6-10-15/h5-12,18H,3-4H2,1-2H3
InChIKeySFBSSYMTFWTYEM-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.66
Rot. Bonds7

About N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2442061) has the molecular formula C16H19FN2O4S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
PubChem CID2442061
Molecular FormulaC16H19FN2O4S2
Molecular Weight386.47 g/mol
Exact Mass386.08
IUPAC NameN,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O4S2/c1-3-19(4-2)25(22,23)16-11-7-14(8-12-16)18-24(20,21)15-9-5-13(17)6-10-15/h5-12,18H,3-4H2,1-2H3
InChIKeySFBSSYMTFWTYEM-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (CID 2442061) is N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is SFBSSYMTFWTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S2/c1-3-19(4-2)25(22,23)16-11-7-14(8-12-16)18-24(20,21)15-9-5-13(17)6-10-15/h5-12,18H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).