2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide

C14H12Cl2F2N2O4S2 — CID 52565640

IUPAC2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2F2N2O4S2/c15-11-7-9(17)1-3-13(11)25(21,22)19-5-6-20-26(23,24)14-4-2-10(18)8-12(14)16/h1-4,7-8,19-20H,5-6H2
InChIKeyIXPVACKGJBSFAA-UHFFFAOYSA-N
MW445.30 g/mol
LogP2.53
Rot. Bonds7

About 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide

2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 52565640) has the molecular formula C14H12Cl2F2N2O4S2 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
PubChem CID52565640
Molecular FormulaC14H12Cl2F2N2O4S2
Molecular Weight445.30 g/mol
Exact Mass443.96
IUPAC Name2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2F2N2O4S2/c15-11-7-9(17)1-3-13(11)25(21,22)19-5-6-20-26(23,24)14-4-2-10(18)8-12(14)16/h1-4,7-8,19-20H,5-6H2
InChIKeyIXPVACKGJBSFAA-UHFFFAOYSA-N
XLogP2.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
2-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 131889231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide (CID 52565640) is 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is IXPVACKGJBSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2O4S2/c15-11-7-9(17)1-3-13(11)25(21,22)19-5-6-20-26(23,24)14-4-2-10(18)8-12(14)16/h1-4,7-8,19-20H,5-6H2.
What are the key properties of 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide?
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 445.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 52565640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).