5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C10H15ClFN3O4S2 — CID 106333254

IUPAC5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H15ClFN3O4S2/c1-20(16,17)14-3-2-4-15-21(18,19)9-6-7(13)5-8(11)10(9)12/h5-6,14-15H,2-4,13H2,1H3
InChIKeyAAJZWWTUGMXESW-UHFFFAOYSA-N
MW359.83 g/mol
LogP0.28
Rot. Bonds7

About 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106333254) has the molecular formula C10H15ClFN3O4S2 and a molecular weight of 359.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106333254
Molecular FormulaC10H15ClFN3O4S2
Molecular Weight359.83 g/mol
Exact Mass359.02
IUPAC Name5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H15ClFN3O4S2/c1-20(16,17)14-3-2-4-15-21(18,19)9-6-7(13)5-8(11)10(9)12/h5-6,14-15H,2-4,13H2,1H3
InChIKeyAAJZWWTUGMXESW-UHFFFAOYSA-N
XLogP0.28
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]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

5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175671
5-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023
5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 80646485
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106333254) is 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is AAJZWWTUGMXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O4S2/c1-20(16,17)14-3-2-4-15-21(18,19)9-6-7(13)5-8(11)10(9)12/h5-6,14-15H,2-4,13H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 359.83 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106333254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).