4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline

C13H18FNO2S — CID 81183010

IUPAC4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
SMILESCC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C13H18FNO2S/c1-9-3-2-4-11(7-9)18(16,17)13-8-10(14)5-6-12(13)15/h5-6,8-9,11H,2-4,7,15H2,1H3
InChIKeyWDMGNNBUQWDRFQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds2

About 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline

4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline (PubChem CID 81183010) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline.

Molecular Properties

Compound Name4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
PubChem CID81183010
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
SMILESCC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C13H18FNO2S/c1-9-3-2-4-11(7-9)18(16,17)13-8-10(14)5-6-12(13)15/h5-6,8-9,11H,2-4,7,15H2,1H3
InChIKeyWDMGNNBUQWDRFQ-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
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

2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
CID 81184032
4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
CID 81190873
3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
CID 64716725
2-(3-ethylcyclohexyl)sulfonyl-4-methylaniline
CID 81183239
4-methyl-2-(4-methylcyclohexyl)sulfonylaniline
CID 81183994
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
CID 81207066
4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 81191909
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 64729332
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541
4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline?
The IUPAC name of 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline (CID 81183010) is 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline.
What is the SMILES notation for 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline?
The canonical SMILES for 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline is CC1CCCC(S(=O)(=O)c2cc(F)ccc2N)C1.
What is the InChIKey of 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline?
The InChIKey is WDMGNNBUQWDRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-9-3-2-4-11(7-9)18(16,17)13-8-10(14)5-6-12(13)15/h5-6,8-9,11H,2-4,7,15H2,1H3.
What are the key properties of 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline?
4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline has a molecular weight of 271.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline is sourced from PubChem (CID 81183010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).