N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C16H21F3N2O3S — CID 4784487

IUPACN-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)12-6-5-9-14(10-12)25(23,24)20-11-15(22)21-13-7-3-1-2-4-8-13/h5-6,9-10,13,20H,1-4,7-8,11H2,(H,21,22)
InChIKeyLNHNLHNQDBZYKP-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.82
Rot. Bonds5

About N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 4784487) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID4784487
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)12-6-5-9-14(10-12)25(23,24)20-11-15(22)21-13-7-3-1-2-4-8-13/h5-6,9-10,13,20H,1-4,7-8,11H2,(H,21,22)
InChIKeyLNHNLHNQDBZYKP-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 4784487) is N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is LNHNLHNQDBZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)12-6-5-9-14(10-12)25(23,24)20-11-15(22)21-13-7-3-1-2-4-8-13/h5-6,9-10,13,20H,1-4,7-8,11H2,(H,21,22).
What are the key properties of N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 378.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 4784487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).