1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

C18H19FN2O3S — CID 129186963

IUPAC1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c1-17(2)15(11-7-9-12(10-8-11)25(21,23)24)18(17,16(20)22)13-5-3-4-6-14(13)19/h3-10,15H,1-2H3,(H2,20,22)(H2,21,23,24)
InChIKeyYWDGPVSXTDXCPC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (PubChem CID 129186963) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
PubChem CID129186963
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c1-17(2)15(11-7-9-12(10-8-11)25(21,23)24)18(17,16(20)22)13-5-3-4-6-14(13)19/h3-10,15H,1-2H3,(H2,20,22)(H2,21,23,24)
InChIKeyYWDGPVSXTDXCPC-UHFFFAOYSA-N
XLogP2.02
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (CID 129186963) is 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is CC1(C)C(c2ccc(S(N)(=O)=O)cc2)C1(C(N)=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The InChIKey is YWDGPVSXTDXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-17(2)15(11-7-9-12(10-8-11)25(21,23)24)18(17,16(20)22)13-5-3-4-6-14(13)19/h3-10,15H,1-2H3,(H2,20,22)(H2,21,23,24).
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129186963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).