[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine

C14H12Cl2FNOS — CID 81329209

IUPAC[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNOS/c15-11-3-4-12(16)14(6-11)20(19)8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2
InChIKeyRTNQJIRFCKQLBU-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.90
Rot. Bonds4

About [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine

[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine (PubChem CID 81329209) has the molecular formula C14H12Cl2FNOS and a molecular weight of 332.23 g/mol. Its IUPAC name is [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
PubChem CID81329209
Molecular FormulaC14H12Cl2FNOS
Molecular Weight332.23 g/mol
Exact Mass331.00
IUPAC Name[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FNOS/c15-11-3-4-12(16)14(6-11)20(19)8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2
InChIKeyRTNQJIRFCKQLBU-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
CID 64769008
4-chloro-3-[(5-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 103051963
[4-[(3,4-dimethylphenyl)sulfinylmethyl]-3-fluorophenyl]methanamine
CID 81328710
3-[(2,5-dichlorophenyl)sulfinylmethyl]-4-fluorobenzoic acid
CID 107453506
5-chloro-2-[(4-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 107889453
[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328422
2-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluoroaniline
CID 63330990
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
4-bromo-2-[(4-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 114862881
[3-chloro-4-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
CID 102670629
[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492
3-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-chloroaniline
CID 81201986

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine (CID 81329209) is [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine is NCc1ccc(CS(=O)c2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine?
The InChIKey is RTNQJIRFCKQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNOS/c15-11-3-4-12(16)14(6-11)20(19)8-10-2-1-9(7-18)5-13(10)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine?
[4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine has a molecular weight of 332.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dichlorophenyl)sulfinylmethyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 81329209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).