1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

C19H18ClF3N2O3S — CID 90030801

IUPAC1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c1-17(2)15(10-3-6-12(7-4-10)29(25,27)28)18(17,16(24)26)14-9-11(20)5-8-13(14)19(21,22)23/h3-9,15H,1-2H3,(H2,24,26)(H2,25,27,28)
InChIKeyVMAUBPZSGRHYOX-UHFFFAOYSA-N
MW446.88 g/mol
LogP3.55
Rot. Bonds4

About 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (PubChem CID 90030801) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
PubChem CID90030801
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC Name1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c1-17(2)15(10-3-6-12(7-4-10)29(25,27)28)18(17,16(24)26)14-9-11(20)5-8-13(14)19(21,22)23/h3-9,15H,1-2H3,(H2,24,26)(H2,25,27,28)
InChIKeyVMAUBPZSGRHYOX-UHFFFAOYSA-N
XLogP3.55
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (CID 90030801) is 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is CC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VMAUBPZSGRHYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c1-17(2)15(10-3-6-12(7-4-10)29(25,27)28)18(17,16(24)26)14-9-11(20)5-8-13(14)19(21,22)23/h3-9,15H,1-2H3,(H2,24,26)(H2,25,27,28).
What are the key properties of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide has a molecular weight of 446.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90030801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).