4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C19H27F3N2O2S — CID 24946362

IUPAC4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H27F3N2O2S/c20-19(21,22)17-12-16(24-15-6-4-2-1-3-5-7-15)10-11-18(17)27(25,26)23-13-14-8-9-14/h10-12,14-15,23-24H,1-9,13H2
InChIKeyFIWCMRNPANJURR-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.92
Rot. Bonds6

About 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946362) has the molecular formula C19H27F3N2O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946362
Molecular FormulaC19H27F3N2O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC Name4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H27F3N2O2S/c20-19(21,22)17-12-16(24-15-6-4-2-1-3-5-7-15)10-11-18(17)27(25,26)23-13-14-8-9-14/h10-12,14-15,23-24H,1-9,13H2
InChIKeyFIWCMRNPANJURR-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24946362) is 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(NC2CCCCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FIWCMRNPANJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2S/c20-19(21,22)17-12-16(24-15-6-4-2-1-3-5-7-15)10-11-18(17)27(25,26)23-13-14-8-9-14/h10-12,14-15,23-24H,1-9,13H2.
What are the key properties of 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).