5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide

C14H24FN3O2S — CID 79898608

IUPAC5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C14H24FN3O2S/c1-4-18(5-2)8-6-7-17-21(19,20)14-10-12(16)9-13(15)11(14)3/h9-10,17H,4-8,16H2,1-3H3
InChIKeyMELRLAYGIOQCEP-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.73
Rot. Bonds8

About 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898608) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898608
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C14H24FN3O2S/c1-4-18(5-2)8-6-7-17-21(19,20)14-10-12(16)9-13(15)11(14)3/h9-10,17H,4-8,16H2,1-3H3
InChIKeyMELRLAYGIOQCEP-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide (CID 79898608) is 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is MELRLAYGIOQCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-4-18(5-2)8-6-7-17-21(19,20)14-10-12(16)9-13(15)11(14)3/h9-10,17H,4-8,16H2,1-3H3.
What are the key properties of 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).