5-chloro-2-(2-methylpropylsulfonyl)aniline

C10H14ClNO2S — CID 81175352

IUPAC5-chloro-2-(2-methylpropylsulfonyl)aniline
SMILESCC(C)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO2S/c1-7(2)6-15(13,14)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyWOMWDTDQLXRJPZ-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-2-(2-methylpropylsulfonyl)aniline

5-chloro-2-(2-methylpropylsulfonyl)aniline (PubChem CID 81175352) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropylsulfonyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropylsulfonyl)aniline
PubChem CID81175352
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name5-chloro-2-(2-methylpropylsulfonyl)aniline
SMILESCC(C)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO2S/c1-7(2)6-15(13,14)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyWOMWDTDQLXRJPZ-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
5-chloro-2-(3-methoxypropylsulfonyl)aniline
CID 81174746
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
5-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]aniline
CID 81175336
5-chloro-2-[(3-methylphenyl)methylsulfonyl]aniline
CID 81176243
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
CID 81175485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropylsulfonyl)aniline?
The IUPAC name of 5-chloro-2-(2-methylpropylsulfonyl)aniline (CID 81175352) is 5-chloro-2-(2-methylpropylsulfonyl)aniline.
What is the SMILES notation for 5-chloro-2-(2-methylpropylsulfonyl)aniline?
The canonical SMILES for 5-chloro-2-(2-methylpropylsulfonyl)aniline is CC(C)CS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(2-methylpropylsulfonyl)aniline?
The InChIKey is WOMWDTDQLXRJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(2)6-15(13,14)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropylsulfonyl)aniline?
5-chloro-2-(2-methylpropylsulfonyl)aniline has a molecular weight of 247.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropylsulfonyl)aniline is sourced from PubChem (CID 81175352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).