N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide

C14H24FN3O2S — CID 106034867

IUPACN-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(CNC)c1
InChIInChI=1S/C14H24FN3O2S/c1-4-18(5-2)9-8-17-21(19,20)13-6-7-14(15)12(10-13)11-16-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyZOSGVQLGSRXLJM-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.17
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide

N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106034867) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106034867
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC NameN-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(CNC)c1
InChIInChI=1S/C14H24FN3O2S/c1-4-18(5-2)9-8-17-21(19,20)13-6-7-14(15)12(10-13)11-16-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyZOSGVQLGSRXLJM-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-[2-(diethylamino)ethyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106034982
4-fluoro-N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106018108
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
4-fluoro-N-(3-methoxy-2-methylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106050778

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide (CID 106034867) is N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(F)c(CNC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ZOSGVQLGSRXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-4-18(5-2)9-8-17-21(19,20)13-6-7-14(15)12(10-13)11-16-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106034867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).