3-chloro-2-(methoxymethylsulfonyl)aniline

C8H10ClNO3S — CID 81182200

IUPAC3-chloro-2-(methoxymethylsulfonyl)aniline
SMILESCOCS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-13-5-14(11,12)8-6(9)3-2-4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyZDWDSWRVDTUZOE-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.30
Rot. Bonds3

About 3-chloro-2-(methoxymethylsulfonyl)aniline

3-chloro-2-(methoxymethylsulfonyl)aniline (PubChem CID 81182200) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 3-chloro-2-(methoxymethylsulfonyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(methoxymethylsulfonyl)aniline
PubChem CID81182200
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name3-chloro-2-(methoxymethylsulfonyl)aniline
SMILESCOCS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-13-5-14(11,12)8-6(9)3-2-4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyZDWDSWRVDTUZOE-UHFFFAOYSA-N
XLogP1.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
CID 81186152
3-chloro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81182114
3-chloro-2-[(4-methylphenyl)methylsulfonyl]aniline
CID 81185256
3-chloro-2-[(2-fluoro-3-methoxyphenyl)methylsulfonyl]aniline
CID 104795752
3-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]aniline
CID 81185154
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
3-chloro-2-(cyclopentylmethylsulfonyl)aniline
CID 81185150
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
CID 81182283
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methoxymethylsulfonyl)aniline?
The IUPAC name of 3-chloro-2-(methoxymethylsulfonyl)aniline (CID 81182200) is 3-chloro-2-(methoxymethylsulfonyl)aniline.
What is the SMILES notation for 3-chloro-2-(methoxymethylsulfonyl)aniline?
The canonical SMILES for 3-chloro-2-(methoxymethylsulfonyl)aniline is COCS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-(methoxymethylsulfonyl)aniline?
The InChIKey is ZDWDSWRVDTUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-13-5-14(11,12)8-6(9)3-2-4-7(8)10/h2-4H,5,10H2,1H3.
What are the key properties of 3-chloro-2-(methoxymethylsulfonyl)aniline?
3-chloro-2-(methoxymethylsulfonyl)aniline has a molecular weight of 235.69 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methoxymethylsulfonyl)aniline is sourced from PubChem (CID 81182200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).