2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide

C10H16FN3O2S — CID 114174884

IUPAC2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)cc(F)c1
InChIInChI=1S/C10H16FN3O2S/c1-2-14-17(15,16)4-3-13-10-6-8(11)5-9(12)7-10/h5-7,13-14H,2-4,12H2,1H3
InChIKeySTBCOFFGJKYSPI-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.76
Rot. Bonds6

About 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide

2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide (PubChem CID 114174884) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
PubChem CID114174884
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)cc(F)c1
InChIInChI=1S/C10H16FN3O2S/c1-2-14-17(15,16)4-3-13-10-6-8(11)5-9(12)7-10/h5-7,13-14H,2-4,12H2,1H3
InChIKeySTBCOFFGJKYSPI-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide 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

N-Phenyltaurine
CID 446854
3-Anilinopropanesulphonic acid
CID 3018384
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CID 2947309
Methanesulfonamide, N-[4-(ethylamino)phenyl]-
CID 20277952
N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide
CID 43550982
4-(2-Fluoropropylamino)Benzenesulfonamide
CID 71578980
2-(3-Aminophenyl)-1,2-thiazolidine-1,1-dione
CID 9079182
1-Butanesulfonic acid, 4-[(4-aminophenyl)butylamino]-
CID 118765
1-(Ethylsulfonyl)-4-(2-fluorophenyl)piperazine
CID 898195
4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide
CID 44601982
2-(dimethylamino)-N-(4-fluorophenyl)ethanesulfonamide
CID 76332112
2-[2-(dimethylamino)ethyl-methylamino]-N-(4-fluorophenyl)ethanesulfonamide
CID 76335734

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide (CID 114174884) is 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cc(N)cc(F)c1.
What is the InChIKey of 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide?
The InChIKey is STBCOFFGJKYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-2-14-17(15,16)4-3-13-10-6-8(11)5-9(12)7-10/h5-7,13-14H,2-4,12H2,1H3.
What are the key properties of 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide?
2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide is sourced from PubChem (CID 114174884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).