2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline

C13H10Cl2FNOS — CID 64769008

IUPAC2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
SMILESNc1cc(F)ccc1CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNOS/c14-9-2-4-11(15)13(5-9)19(18)7-8-1-3-10(16)6-12(8)17/h1-6H,7,17H2
InChIKeyFMAZGSUZOCDNME-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.02
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline

2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline (PubChem CID 64769008) has the molecular formula C13H10Cl2FNOS and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
PubChem CID64769008
Molecular FormulaC13H10Cl2FNOS
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
SMILESNc1cc(F)ccc1CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNOS/c14-9-2-4-11(15)13(5-9)19(18)7-8-1-3-10(16)6-12(8)17/h1-6H,7,17H2
InChIKeyFMAZGSUZOCDNME-UHFFFAOYSA-N
XLogP4.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(5-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 103051963
[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81329209
2-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluoroaniline
CID 63330990
4-chloro-2-[(5-fluoro-2-nitrophenyl)methylsulfinyl]aniline
CID 81175849
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385
2-[(4-bromophenyl)sulfinylmethyl]-5-fluoroaniline
CID 64770378
3-[(2,5-dichlorophenyl)sulfinylmethyl]-4-fluorobenzoic acid
CID 107453506
2-[(3-chloro-2-fluorophenyl)methylsulfinyl]-5-fluoroaniline
CID 102864583
5-chloro-2-[(4-propan-2-ylphenyl)sulfinylmethyl]aniline
CID 62100627
3-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-chloroaniline
CID 81201986
5-bromo-2-[(2-chloro-4-fluorophenyl)methylsulfinyl]aniline
CID 81185186
4-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3,5-difluoroaniline
CID 102619654

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline (CID 64769008) is 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline is Nc1cc(F)ccc1CS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline?
The InChIKey is FMAZGSUZOCDNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNOS/c14-9-2-4-11(15)13(5-9)19(18)7-8-1-3-10(16)6-12(8)17/h1-6H,7,17H2.
What are the key properties of 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline?
2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline has a molecular weight of 318.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline is sourced from PubChem (CID 64769008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).