1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

C15H17FN2O4S2 — CID 1455204

IUPAC1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-18(2)24(21,22)14-9-7-13(8-10-14)23(19,20)17-11-12-5-3-4-6-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyDDZXFEOJLDSXGV-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.55
Rot. Bonds6

About 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 1455204) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID1455204
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-18(2)24(21,22)14-9-7-13(8-10-14)23(19,20)17-11-12-5-3-4-6-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyDDZXFEOJLDSXGV-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 1455204) is 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is DDZXFEOJLDSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-18(2)24(21,22)14-9-7-13(8-10-14)23(19,20)17-11-12-5-3-4-6-15(12)16/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 1455204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).