4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C18H23F3N2O2S — CID 24947241

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
InChIKeyFJHVEQHZHSLVPQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.99
Rot. Bonds6

About 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24947241) has the molecular formula C18H23F3N2O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24947241
Molecular FormulaC18H23F3N2O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
InChIKeyFJHVEQHZHSLVPQ-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24947241) is 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FJHVEQHZHSLVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24947241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).