N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline

C14H18F3NO3S — CID 146532141

IUPACN-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
SMILESCOC1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO3S/c1-21-12-6-2-10(3-7-12)18-11-4-8-13(9-5-11)22(19,20)14(15,16)17/h4-5,8-10,12,18H,2-3,6-7H2,1H3
InChIKeyGLVZXNSYRHTLHH-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.35
Rot. Bonds4

About N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline

N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline (PubChem CID 146532141) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
PubChem CID146532141
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC NameN-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
SMILESCOC1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO3S/c1-21-12-6-2-10(3-7-12)18-11-4-8-13(9-5-11)22(19,20)14(15,16)17/h4-5,8-10,12,18H,2-3,6-7H2,1H3
InChIKeyGLVZXNSYRHTLHH-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline (CID 146532141) is N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline is COC1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline?
The InChIKey is GLVZXNSYRHTLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-21-12-6-2-10(3-7-12)18-11-4-8-13(9-5-11)22(19,20)14(15,16)17/h4-5,8-10,12,18H,2-3,6-7H2,1H3.
What are the key properties of N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline?
N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline has a molecular weight of 337.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 146532141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).