N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide

C17H16F3NO3S — CID 24663515

IUPACN-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H16F3NO3S/c18-17(19,20)24-15-8-10-16(11-9-15)25(22,23)21(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2
InChIKeyPASKYSYPDQEHLK-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide

N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24663515) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID24663515
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC NameN-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H16F3NO3S/c18-17(19,20)24-15-8-10-16(11-9-15)25(22,23)21(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2
InChIKeyPASKYSYPDQEHLK-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide (CID 24663515) is N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PASKYSYPDQEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c18-17(19,20)24-15-8-10-16(11-9-15)25(22,23)21(14-6-7-14)12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2.
What are the key properties of N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide?
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 371.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24663515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).