4-cyclopentylsulfonyl-3-methoxyaniline

C12H17NO3S — CID 81207041

IUPAC4-cyclopentylsulfonyl-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO3S/c1-16-11-8-9(13)6-7-12(11)17(14,15)10-4-2-3-5-10/h6-8,10H,2-5,13H2,1H3
InChIKeyHORKSMPHDCUCIS-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.99
Rot. Bonds3

About 4-cyclopentylsulfonyl-3-methoxyaniline

4-cyclopentylsulfonyl-3-methoxyaniline (PubChem CID 81207041) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-3-methoxyaniline.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-3-methoxyaniline
PubChem CID81207041
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-cyclopentylsulfonyl-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H17NO3S/c1-16-11-8-9(13)6-7-12(11)17(14,15)10-4-2-3-5-10/h6-8,10H,2-5,13H2,1H3
InChIKeyHORKSMPHDCUCIS-UHFFFAOYSA-N
XLogP1.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.99
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

4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
methyl (2S)-1-(4-amino-2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 135144235
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
3-methoxy-4-(oxolan-3-ylmethylsulfonyl)aniline
CID 81207444
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-3-methoxyaniline?
The IUPAC name of 4-cyclopentylsulfonyl-3-methoxyaniline (CID 81207041) is 4-cyclopentylsulfonyl-3-methoxyaniline.
What is the SMILES notation for 4-cyclopentylsulfonyl-3-methoxyaniline?
The canonical SMILES for 4-cyclopentylsulfonyl-3-methoxyaniline is COc1cc(N)ccc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-3-methoxyaniline?
The InChIKey is HORKSMPHDCUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-11-8-9(13)6-7-12(11)17(14,15)10-4-2-3-5-10/h6-8,10H,2-5,13H2,1H3.
What are the key properties of 4-cyclopentylsulfonyl-3-methoxyaniline?
4-cyclopentylsulfonyl-3-methoxyaniline has a molecular weight of 255.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-3-methoxyaniline is sourced from PubChem (CID 81207041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).