4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide

C18H20F3NO3S — CID 55691636

IUPAC4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2C(F)(F)F)c2ccccc12
InChIInChI=1S/C18H20F3NO3S/c1-25-16-10-11-17(13-7-3-2-6-12(13)16)26(23,24)22-15-9-5-4-8-14(15)18(19,20)21/h2-3,6-7,10-11,14-15,22H,4-5,8-9H2,1H3
InChIKeyWLRSAXHEWXTWBW-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.25
Rot. Bonds4

About 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide

4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide (PubChem CID 55691636) has the molecular formula C18H20F3NO3S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide
PubChem CID55691636
Molecular FormulaC18H20F3NO3S
Molecular Weight387.42 g/mol
Exact Mass387.11
IUPAC Name4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2C(F)(F)F)c2ccccc12
InChIInChI=1S/C18H20F3NO3S/c1-25-16-10-11-17(13-7-3-2-6-12(13)16)26(23,24)22-15-9-5-4-8-14(15)18(19,20)21/h2-3,6-7,10-11,14-15,22H,4-5,8-9H2,1H3
InChIKeyWLRSAXHEWXTWBW-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630429
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide (CID 55691636) is 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2C(F)(F)F)c2ccccc12.
What is the InChIKey of 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide?
The InChIKey is WLRSAXHEWXTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3S/c1-25-16-10-11-17(13-7-3-2-6-12(13)16)26(23,24)22-15-9-5-4-8-14(15)18(19,20)21/h2-3,6-7,10-11,14-15,22H,4-5,8-9H2,1H3.
What are the key properties of 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide?
4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide has a molecular weight of 387.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 55691636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).