5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline

C15H14ClNO2S — CID 144544539

IUPAC5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NSc1ccc2c(c1)CCO2
InChIInChI=1S/C15H14ClNO2S/c1-18-15-4-2-11(16)9-13(15)17-20-12-3-5-14-10(8-12)6-7-19-14/h2-5,8-9,17H,6-7H2,1H3
InChIKeyVFUPMQBKEVNNRF-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.40
Rot. Bonds4

About 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline

5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline (PubChem CID 144544539) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline
PubChem CID144544539
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NSc1ccc2c(c1)CCO2
InChIInChI=1S/C15H14ClNO2S/c1-18-15-4-2-11(16)9-13(15)17-20-12-3-5-14-10(8-12)6-7-19-14/h2-5,8-9,17H,6-7H2,1H3
InChIKeyVFUPMQBKEVNNRF-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 7652636
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
5-N-(5-chloro-2-methoxyphenyl)-3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112966913
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
CID 61004887
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105333854
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline (CID 144544539) is 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline is COc1ccc(Cl)cc1NSc1ccc2c(c1)CCO2.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline?
The InChIKey is VFUPMQBKEVNNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-18-15-4-2-11(16)9-13(15)17-20-12-3-5-14-10(8-12)6-7-19-14/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline?
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline has a molecular weight of 307.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline is sourced from PubChem (CID 144544539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).