2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide

C14H21FN2O2S — CID 122496262

IUPAC2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(N)(=O)=O)c(CF)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-2-4-12(5-3-10)17-13-6-7-14(20(16,18)19)11(8-13)9-15/h6-8,10,12,17H,2-5,9H2,1H3,(H2,16,18,19)
InChIKeyANRKLBUWSHXSIZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds4

About 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide

2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 122496262) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID122496262
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(N)(=O)=O)c(CF)c2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-2-4-12(5-3-10)17-13-6-7-14(20(16,18)19)11(8-13)9-15/h6-8,10,12,17H,2-5,9H2,1H3,(H2,16,18,19)
InChIKeyANRKLBUWSHXSIZ-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide (CID 122496262) is 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide is CC1CCC(Nc2ccc(S(N)(=O)=O)c(CF)c2)CC1.
What is the InChIKey of 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is ANRKLBUWSHXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-2-4-12(5-3-10)17-13-6-7-14(20(16,18)19)11(8-13)9-15/h6-8,10,12,17H,2-5,9H2,1H3,(H2,16,18,19).
What are the key properties of 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide?
2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-[(4-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 122496262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).