3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide

C18H19Cl2FN2O4S2 — CID 86691003

IUPAC3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H19Cl2FN2O4S2/c1-3-23(2)18(24)8-9-28(25)16-6-4-13(20)11-15(16)22-29(26,27)17-7-5-12(19)10-14(17)21/h4-7,10-11,22H,3,8-9H2,1-2H3
InChIKeyUUXKVALISPLJSO-UHFFFAOYSA-N
MW481.40 g/mol
LogP3.91
Rot. Bonds8

About 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide

3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide (PubChem CID 86691003) has the molecular formula C18H19Cl2FN2O4S2 and a molecular weight of 481.40 g/mol. Its IUPAC name is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide
PubChem CID86691003
Molecular FormulaC18H19Cl2FN2O4S2
Molecular Weight481.40 g/mol
Exact Mass480.01
IUPAC Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H19Cl2FN2O4S2/c1-3-23(2)18(24)8-9-28(25)16-6-4-13(20)11-15(16)22-29(26,27)17-7-5-12(19)10-14(17)21/h4-7,10-11,22H,3,8-9H2,1-2H3
InChIKeyUUXKVALISPLJSO-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide (CID 86691003) is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide is CCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide?
The InChIKey is UUXKVALISPLJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O4S2/c1-3-23(2)18(24)8-9-28(25)16-6-4-13(20)11-15(16)22-29(26,27)17-7-5-12(19)10-14(17)21/h4-7,10-11,22H,3,8-9H2,1-2H3.
What are the key properties of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide?
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide has a molecular weight of 481.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 86691003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).