2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide

C16H20ClF3N2O3S — CID 4850509

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C16H20ClF3N2O3S/c17-14-8-7-12(9-13(14)16(18,19)20)26(24,25)21-10-15(23)22-11-5-3-1-2-4-6-11/h7-9,11,21H,1-6,10H2,(H,22,23)
InChIKeyOBXSJCZAYZCXAI-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.48
Rot. Bonds5

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide (PubChem CID 4850509) has the molecular formula C16H20ClF3N2O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide
PubChem CID4850509
Molecular FormulaC16H20ClF3N2O3S
Molecular Weight412.86 g/mol
Exact Mass412.08
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C16H20ClF3N2O3S/c17-14-8-7-12(9-13(14)16(18,19)20)26(24,25)21-10-15(23)22-11-5-3-1-2-4-6-11/h7-9,11,21H,1-6,10H2,(H,22,23)
InChIKeyOBXSJCZAYZCXAI-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide (CID 4850509) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide is O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCCC1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide?
The InChIKey is OBXSJCZAYZCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O3S/c17-14-8-7-12(9-13(14)16(18,19)20)26(24,25)21-10-15(23)22-11-5-3-1-2-4-6-11/h7-9,11,21H,1-6,10H2,(H,22,23).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide has a molecular weight of 412.86 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 4850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).