N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide

C15H18ClF3N2O3S — CID 113071268

IUPACN-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(8-7-20-14(22)10-3-2-4-10)13-9-11(15(17,18)19)5-6-12(13)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyCQYFUOVCBWSUGT-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide

N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide (PubChem CID 113071268) has the molecular formula C15H18ClF3N2O3S and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
PubChem CID113071268
Molecular FormulaC15H18ClF3N2O3S
Molecular Weight398.83 g/mol
Exact Mass398.07
IUPAC NameN-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(8-7-20-14(22)10-3-2-4-10)13-9-11(15(17,18)19)5-6-12(13)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyCQYFUOVCBWSUGT-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]oxane-4-carboxamide
CID 113062144
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2912776
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43896302
N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072076
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113071622
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 22193695

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide (CID 113071268) is N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide?
The InChIKey is CQYFUOVCBWSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(8-7-20-14(22)10-3-2-4-10)13-9-11(15(17,18)19)5-6-12(13)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,22).
What are the key properties of N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide?
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113071268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).