2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene

C15H14ClNO2S — CID 118244207

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene
SMILESCc1ccc(OCc2c(C)cccc2N=S=O)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-6-7-15(13(16)8-10)19-9-12-11(2)4-3-5-14(12)17-20-18/h3-8H,9H2,1-2H3
InChIKeyPSYHDJQHYWGEGA-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.56
Rot. Bonds4

About 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene

2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene (PubChem CID 118244207) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene
PubChem CID118244207
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene
SMILESCc1ccc(OCc2c(C)cccc2N=S=O)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-6-7-15(13(16)8-10)19-9-12-11(2)4-3-5-14(12)17-20-18/h3-8H,9H2,1-2H3
InChIKeyPSYHDJQHYWGEGA-UHFFFAOYSA-N
XLogP4.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-6-methylphenyl)methoxy]-3-chlorophenol
CID 129110246
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
3-bromo-4-[(2-isocyanato-6-methylphenyl)methoxy]benzenethiol
CID 163475339
1-[2-[(2-chloro-4-methylphenoxy)methyl]-3-iodophenyl]-4-methyltetrazol-5-one
CID 118535557
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
N-bromo-2-[(2-chloro-4-hydroxyphenoxy)methyl]-3-methylbenzamide
CID 129110149
pyridin-2-yl 2-(2-chloro-4-methylphenoxy)acetate
CID 90398341
3-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde;ethene
CID 87257616

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene (CID 118244207) is 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene is Cc1ccc(OCc2c(C)cccc2N=S=O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene?
The InChIKey is PSYHDJQHYWGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10-6-7-15(13(16)8-10)19-9-12-11(2)4-3-5-14(12)17-20-18/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene?
2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene has a molecular weight of 307.80 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene is sourced from PubChem (CID 118244207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).