2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H23FN2O3S — CID 102701408

IUPAC2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC(C)C)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-10(2)16-9-12-5-6-13(15)14(7-12)21(18,19)17-8-11(3)20-4/h5-7,10-11,16-17H,8-9H2,1-4H3
InChIKeyUPAFHHBYGVPCGU-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.64
Rot. Bonds8

About 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide

2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 102701408) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID102701408
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC(C)C)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-10(2)16-9-12-5-6-13(15)14(7-12)21(18,19)17-8-11(3)20-4/h5-7,10-11,16-17H,8-9H2,1-4H3
InChIKeyUPAFHHBYGVPCGU-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide 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-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106078669
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409231
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-fluoro-4-[(propan-2-ylamino)methyl]-N-propylbenzenesulfonamide
CID 79189875
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 102701408) is 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide is COC(C)CNS(=O)(=O)c1cc(CNC(C)C)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is UPAFHHBYGVPCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-10(2)16-9-12-5-6-13(15)14(7-12)21(18,19)17-8-11(3)20-4/h5-7,10-11,16-17H,8-9H2,1-4H3.
What are the key properties of 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 102701408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).