4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide

C13H10ClF2NO2S — CID 130460741

IUPAC4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide
SMILESCc1cc(Cl)ccc1Oc1cc(F)c(S(N)=O)cc1F
InChIInChI=1S/C13H10ClF2NO2S/c1-7-4-8(14)2-3-11(7)19-12-5-10(16)13(20(17)18)6-9(12)15/h2-6H,17H2,1H3
InChIKeyHNISTKPOJFRTOK-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.70
Rot. Bonds3

About 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide

4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide (PubChem CID 130460741) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide
PubChem CID130460741
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC Name4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide
SMILESCc1cc(Cl)ccc1Oc1cc(F)c(S(N)=O)cc1F
InChIInChI=1S/C13H10ClF2NO2S/c1-7-4-8(14)2-3-11(7)19-12-5-10(16)13(20(17)18)6-9(12)15/h2-6H,17H2,1H3
InChIKeyHNISTKPOJFRTOK-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide (CID 130460741) is 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide is Cc1cc(Cl)ccc1Oc1cc(F)c(S(N)=O)cc1F.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide?
The InChIKey is HNISTKPOJFRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c1-7-4-8(14)2-3-11(7)19-12-5-10(16)13(20(17)18)6-9(12)15/h2-6H,17H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide?
4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide has a molecular weight of 317.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-2,5-difluorobenzenesulfinamide is sourced from PubChem (CID 130460741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).